3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)propan-1-one CAS Name: 3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)propan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-(1H-indol-3-yl)-3-(4-methoxyphenyl)propan-1-one Formula: C29H31N3O2 MolecularWeight: 453.57534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CNC5=CC=CC=C54

Isomeric SMILES

COC1=CC=C(C=C1)C(CC(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C29H31N3O2/c1-34-24-13-11-23(12-14-24)26(27-20-30-28-10-6-5-9-25(27)28)19-29(33)32-17-15-31(16-18-32)21-22-7-3-2-4-8-22/h2-14,20,26,30H,15-19,21H2,1H3