4-[4-[4-(azepan-1-yl)-4-oxidanylidene-3-phenyl-butyl]piperazin-1-yl]-1H-indole-2-carboxylic acid

Systemtic Name: 4-[4-[4-(azepan-1-yl)-4-oxidanylidene-3-phenyl-butyl]piperazin-1-yl]-1H-indole-2-carboxylic acid Openeye Name: 4-[4-[4-(azepan-1-yl)-4-oxo-3-phenyl-butyl]piperazin-1-yl]-1H-indole-2-carboxylic acid CAS Name: 4-[4-[4-(1-azepanyl)-4-oxo-3-phenylbutyl]-1-piperazinyl]-1H-indole-2-carboxylic acid IUPAC Name: 4-[4-[4-(azepan-1-yl)-4-oxo-3-phenylbutyl]piperazin-1-yl]-1H-indole-2-carboxylic acid Traditional Name: 4-[4-[4-(azepan-1-yl)-4-keto-3-phenyl-butyl]piperazino]-1H-indole-2-carboxylic acid Formula: C29H36N4O3 MolecularWeight: 488.62114

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(CCN2CCN(CC2)C3=CC=CC4=C3C=C(N4)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C(=O)C(CCN2CCN(CC2)C3=CC=CC4=C3C=C(N4)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C29H36N4O3/c34-28(33-14-6-1-2-7-15-33)23(22-9-4-3-5-10-22)13-16-31-17-19-32(20-18-31)27-12-8-11-25-24(27)21-26(30-25)29(35)36/h3-5,8-12,21,23,30H,1-2,6-7,13-20H2,(H,35,36)