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

Systemtic Name: methyl 4-[4-[4-(azepan-1-yl)-4-oxidanylidene-3-phenyl-butyl]piperazin-1-yl]-1H-indole-2-carboxylate Openeye Name: methyl 4-[4-[4-(azepan-1-yl)-4-oxo-3-phenyl-butyl]piperazin-1-yl]-1H-indole-2-carboxylate CAS Name: 4-[4-[4-(1-azepanyl)-4-oxo-3-phenylbutyl]-1-piperazinyl]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[4-[4-(azepan-1-yl)-4-oxo-3-phenylbutyl]piperazin-1-yl]-1H-indole-2-carboxylate Traditional Name: 4-[4-[4-(azepan-1-yl)-4-keto-3-phenyl-butyl]piperazino]-1H-indole-2-carboxylic acid methyl ester Formula: C30H38N4O3 MolecularWeight: 502.64772

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(N1)C=CC=C2N3CCN(CC3)CCC(C4=CC=CC=C4)C(=O)N5CCCCCC5

Isomeric SMILES

COC(=O)C1=CC2=C(N1)C=CC=C2N3CCN(CC3)CCC(C4=CC=CC=C4)C(=O)N5CCCCCC5

InChI

InChI=1S/C30H38N4O3/c1-37-30(36)27-22-25-26(31-27)12-9-13-28(25)33-20-18-32(19-21-33)17-14-24(23-10-5-4-6-11-23)29(35)34-15-7-2-3-8-16-34/h4-6,9-13,22,24,31H,2-3,7-8,14-21H2,1H3