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

Formal Charge0
Atom Count46
Chiral Atom Count0
Bond Count50
Aromatic Bond Count27
2D diagram of C3Z

Chemical Component Summary

Name3-(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
FormulaC23 H18 N4 O
Molecular Weight366.415
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385Oc1cc2n[nH]c(Cc3ccccc3)c2cc1c4ccnn4c5ccccc5
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)Cc2c3cc(c(cc3n[nH]2)O)c4ccnn4c5ccccc5
Canonical SMILESCACTVS3.385 Oc1cc2n[nH]c(Cc3ccccc3)c2cc1c4ccnn4c5ccccc5
Canonical SMILESOpenEye OEToolkits2.0.6 c1ccc(cc1)Cc2c3cc(c(cc3n[nH]2)O)c4ccnn4c5ccccc5
InChIInChI1.03 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)
InChIKeyInChI1.03 XBGRZWVCOXMUCW-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 135567434
ChEMBL CHEMBL3916268