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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCNC1)C(CC(C=O)C2=CC=CC=C2)N3CCN(CC3)N4C5=CC=CC=C5C=C4C(=O)O

Isomeric SMILES

C1CC(CCNC1)C(CC(C=O)C2=CC=CC=C2)N3CCN(CC3)N4C5=CC=CC=C5C=C4C(=O)O

InChI

InChI=1S/C29H36N4O3/c34-21-25(22-7-2-1-3-8-22)20-27(23-10-6-13-30-14-12-23)31-15-17-32(18-16-31)33-26-11-5-4-9-24(26)19-28(33)29(35)36/h1-5,7-9,11,19,21,23,25,27,30H,6,10,12-18,20H2,(H,35,36)