3-(1-ethylindol-3-yl)-3-(4-methylphenyl)-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(1-ethylindol-3-yl)-3-(4-methylphenyl)-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-(1-ethylindol-3-yl)-3-(p-tolyl)propan-1-one CAS Name: 3-(1-ethyl-3-indolyl)-3-(4-methylphenyl)-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-(1-ethylindol-3-yl)-3-(4-methylphenyl)propan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-(1-ethylindol-3-yl)-3-(p-tolyl)propan-1-one Formula: C31H35N3O MolecularWeight: 465.6291

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C(CC(=O)N3CCN(CC3)CC4=CC=CC=C4)C5=CC=C(C=C5)C

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)C(CC(=O)N3CCN(CC3)CC4=CC=CC=C4)C5=CC=C(C=C5)C

InChI

InChI=1S/C31H35N3O/c1-3-33-23-29(27-11-7-8-12-30(27)33)28(26-15-13-24(2)14-16-26)21-31(35)34-19-17-32(18-20-34)22-25-9-5-4-6-10-25/h4-16,23,28H,3,17-22H2,1-2H3