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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(1-methylindol-3-yl)-4-phenyl-butan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(1-methylindol-3-yl)-4-phenyl-butan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-(1-methyl-3-indolyl)-4-phenyl-1-butanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(1-methylindol-3-yl)-4-phenylbutan-1-one Traditional Name: 3-(1-methylindol-3-yl)-4-phenyl-1-(4-piperonylpiperazino)butan-1-one Formula: C31H33N3O3 MolecularWeight: 495.61202

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(CC3=CC=CC=C3)CC(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(CC3=CC=CC=C3)CC(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C31H33N3O3/c1-32-21-27(26-9-5-6-10-28(26)32)25(17-23-7-3-2-4-8-23)19-31(35)34-15-13-33(14-16-34)20-24-11-12-29-30(18-24)37-22-36-29/h2-12,18,21,25H,13-17,19-20,22H2,1H3