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Summary Geometry Related PDB entries

G5I

Summary

Name:	1-ethanoyl-9-methyl-~{N}-(2-phenylethyl)pyrido[3,4-b]indole-3-carboxamide
Formula:	C23 H21 N3 O2
Formal charge:	0
Formula weight:	371.432 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	1-ethanoyl-9-methyl-~{N}-(2-phenylethyl)pyrido[3,4-b]indole-3-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C23H21N3O2/c1-15(27)21-22-18(17-10-6-7-11-20(17)26(22)2)14-19(25-21)23(28)24-13-12-16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3,(H,24,28)
InChIKey	InChI	1.03	IXLQKNHMXNZJEX-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1c2ccccc2c3cc(nc(C(C)=O)c13)C(=O)NCCc4ccccc4
SMILES	CACTVS	3.385	Cn1c2ccccc2c3cc(nc(C(C)=O)c13)C(=O)NCCc4ccccc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(=O)c1c2c(cc(n1)C(=O)NCCc3ccccc3)c4ccccc4n2C
SMILES	OpenEye OEToolkits	2.0.7	CC(=O)c1c2c(cc(n1)C(=O)NCCc3ccccc3)c4ccccc4n2C

259693

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