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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(1-methylindol-3-yl)-3-phenyl-propan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(1-methylindol-3-yl)-3-phenyl-propan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-(1-methyl-3-indolyl)-3-phenyl-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(1-methylindol-3-yl)-3-phenylpropan-1-one Traditional Name: 3-(1-methylindol-3-yl)-3-phenyl-1-(4-piperonylpiperazino)propan-1-one Formula: C30H31N3O3 MolecularWeight: 481.58544

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

InChI

InChI=1S/C30H31N3O3/c1-31-20-26(24-9-5-6-10-27(24)31)25(23-7-3-2-4-8-23)18-30(34)33-15-13-32(14-16-33)19-22-11-12-28-29(17-22)36-21-35-28/h2-12,17,20,25H,13-16,18-19,21H2,1H3