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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(1-methylindol-3-yl)-3-(4-methylphenyl)propan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(1-methylindol-3-yl)-3-(p-tolyl)propan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-(1-methyl-3-indolyl)-3-(4-methylphenyl)-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(1-methylindol-3-yl)-3-(4-methylphenyl)propan-1-one Traditional Name: 3-(1-methylindol-3-yl)-1-(4-piperonylpiperazino)-3-(p-tolyl)propan-1-one Formula: C31H33N3O3 MolecularWeight: 495.61202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5=CN(C6=CC=CC=C65)C

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C5=CN(C6=CC=CC=C65)C

InChI

InChI=1S/C31H33N3O3/c1-22-7-10-24(11-8-22)26(27-20-32(2)28-6-4-3-5-25(27)28)18-31(35)34-15-13-33(14-16-34)19-23-9-12-29-30(17-23)37-21-36-29/h3-12,17,20,26H,13-16,18-19,21H2,1-2H3