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

Systemtic Name: 6-[4-(1,5-dimethyl-2-phenyl-indol-3-yl)carbonyl-1,4-diazepan-1-yl]pyridine-3-carboxylic acid Openeye Name: 6-[4-(1,5-dimethyl-2-phenyl-indole-3-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxylic acid CAS Name: 6-[4-[(1,5-dimethyl-2-phenyl-3-indolyl)-oxomethyl]-1,4-diazepan-1-yl]-3-pyridinecarboxylic acid IUPAC Name: 6-[4-(1,5-dimethyl-2-phenylindole-3-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxylic acid Traditional Name: 6-[4-(1,5-dimethyl-2-phenyl-indole-3-carbonyl)-1,4-diazepan-1-yl]nicotinic acid Formula: C28H28N4O3 MolecularWeight: 468.54692

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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)O)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)O)C5=CC=CC=C5)C

InChI

InChI=1S/C28H28N4O3/c1-19-9-11-23-22(17-19)25(26(30(23)2)20-7-4-3-5-8-20)27(33)32-14-6-13-31(15-16-32)24-12-10-21(18-29-24)28(34)35/h3-5,7-12,17-18H,6,13-16H2,1-2H3,(H,34,35)