H30

5'-methoxy-6'-(1-methyl-2,3,4,7-tetrahydroazepin-5-yl)spiro[cyclobutane-1,3'-indole]-2'-amine

Created:	2020-10-29
Last modified:	2021-02-10

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1 entries where H30 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	0
Bond Count	51
Aromatic Bond Count	6

2D diagram of H30

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Chemical Component Summary
Name	5'-methoxy-6'-(1-methyl-2,3,4,7-tetrahydroazepin-5-yl)spiro[cyclobutane-1,3'-indole]-2'-amine
Systematic Name (OpenEye OEToolkits)	5'-methoxy-6'-(1-methyl-2,3,4,7-tetrahydroazepin-5-yl)spiro[cyclobutane-1,3'-indole]-2'-amine
Formula	C₁₉ H₂₅ N₃ O
Molecular Weight	311.421
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1cc2c(cc1C3=CCN(C)CCC3)N=C(N)C24CCC4
SMILES	OpenEye OEToolkits	2.0.7	CN1CCCC(=CC1)c2cc3c(cc2OC)C4(CCC4)C(=N3)N
Canonical SMILES	CACTVS	3.385	COc1cc2c(cc1C3=CCN(C)CCC3)N=C(N)C24CCC4
Canonical SMILES	OpenEye OEToolkits	2.0.7	CN1CCCC(=CC1)c2cc3c(cc2OC)C4(CCC4)C(=N3)N
InChI	InChI	1.03	InChI=1S/C19H25N3O/c1-22-9-3-5-13(6-10-22)14-11-16-15(12-17(14)23-2)19(7-4-8-19)18(20)21-16/h6,11-12H,3-5,7-10H2,1-2H3,(H2,20,21)
InChIKey	InChI	1.03	VMVRYCYPSDCNEH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	155804443

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