N-[4-(1,5-dimethyl-2-phenyl-indol-3-yl)carbonyl-1,4-diazepan-1-yl]pyridine-3-carboxamide

Systemtic Name: N-[4-(1,5-dimethyl-2-phenyl-indol-3-yl)carbonyl-1,4-diazepan-1-yl]pyridine-3-carboxamide Openeye Name: N-[4-(1,5-dimethyl-2-phenyl-indole-3-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide CAS Name: N-[4-[(1,5-dimethyl-2-phenyl-3-indolyl)-oxomethyl]-1,4-diazepan-1-yl]-3-pyridinecarboxamide IUPAC Name: N-[4-(1,5-dimethyl-2-phenylindole-3-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide Traditional Name: N-[4-(1,5-dimethyl-2-phenyl-indole-3-carbonyl)-1,4-diazepan-1-yl]nicotinamide Formula: C28H29N5O2 MolecularWeight: 467.56216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2C(=O)N3CCCN(CC3)NC(=O)C4=CN=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2C(=O)N3CCCN(CC3)NC(=O)C4=CN=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C28H29N5O2/c1-20-11-12-24-23(18-20)25(26(31(24)2)21-8-4-3-5-9-21)28(35)32-14-7-15-33(17-16-32)30-27(34)22-10-6-13-29-19-22/h3-6,8-13,18-19H,7,14-17H2,1-2H3,(H,30,34)