1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(1-ethylindol-3-yl)-3-(4-methylphenyl)propan-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(1-ethylindol-3-yl)-3-(4-methylphenyl)propan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(1-ethylindol-3-yl)-3-(p-tolyl)propan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-(1-ethyl-3-indolyl)-3-(4-methylphenyl)-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(1-ethylindol-3-yl)-3-(4-methylphenyl)propan-1-one Traditional Name: 3-(1-ethylindol-3-yl)-1-(4-piperonylpiperazino)-3-(p-tolyl)propan-1-one Formula: C32H35N3O3 MolecularWeight: 509.6386

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C(CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C6=CC=C(C=C6)C

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)C(CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C6=CC=C(C=C6)C

InChI

InChI=1S/C32H35N3O3/c1-3-34-21-28(26-6-4-5-7-29(26)34)27(25-11-8-23(2)9-12-25)19-32(36)35-16-14-33(15-17-35)20-24-10-13-30-31(18-24)38-22-37-30/h4-13,18,21,27H,3,14-17,19-20,22H2,1-2H3