C3Z
3-(phenylmethyl)-5-(2-phenylpyrazol-3-yl)-2~{H}-indazol-6-ol
Created: | 2017-11-11 |
Last modified: | 2018-05-30 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 46 |
Chiral Atom Count | 0 |
Bond Count | 50 |
Aromatic Bond Count | 27 |
Chemical Component Summary | |
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Name | 3-(phenylmethyl)-5-(2-phenylpyrazol-3-yl)-2~{H}-indazol-6-ol |
Systematic Name (OpenEye OEToolkits) | 3-(phenylmethyl)-5-(2-phenylpyrazol-3-yl)-2~{H}-indazol-6-ol |
Formula | C23 H18 N4 O |
Molecular Weight | 366.415 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | Oc1cc2n[nH]c(Cc3ccccc3)c2cc1c4ccnn4c5ccccc5 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)Cc2c3cc(c(cc3n[nH]2)O)c4ccnn4c5ccccc5 |
Canonical SMILES | CACTVS | 3.385 | Oc1cc2n[nH]c(Cc3ccccc3)c2cc1c4ccnn4c5ccccc5 |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)Cc2c3cc(c(cc3n[nH]2)O)c4ccnn4c5ccccc5 |
InChI | InChI | 1.03 | InChI=1S/C23H18N4O/c28-23-15-21-18(20(25-26-21)13-16-7-3-1-4-8-16)14-19(23)22-11-12-24-27(22)17-9-5-2-6-10-17/h1-12,14-15,28H,13H2,(H,25,26) |
InChIKey | InChI | 1.03 | XBGRZWVCOXMUCW-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 135567434 |
ChEMBL | CHEMBL3916268 |