methyl 6-[4-(1,5-dimethyl-2-phenyl-indol-3-yl)carbonyl-1,4-diazepan-1-yl]pyridine-3-carboxylate

Systemtic Name: methyl 6-[4-(1,5-dimethyl-2-phenyl-indol-3-yl)carbonyl-1,4-diazepan-1-yl]pyridine-3-carboxylate Openeye Name: methyl 6-[4-(1,5-dimethyl-2-phenyl-indole-3-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-[(1,5-dimethyl-2-phenyl-3-indolyl)-oxomethyl]-1,4-diazepan-1-yl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[4-(1,5-dimethyl-2-phenylindole-3-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-(1,5-dimethyl-2-phenyl-indole-3-carbonyl)-1,4-diazepan-1-yl]nicotinic acid methyl ester Formula: C29H30N4O3 MolecularWeight: 482.5735

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30N4O3/c1-20-10-12-24-23(18-20)26(27(31(24)2)21-8-5-4-6-9-21)28(34)33-15-7-14-32(16-17-33)25-13-11-22(19-30-25)29(35)36-3/h4-6,8-13,18-19H,7,14-17H2,1-3H3