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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(1-methylindol-3-yl)-3-thiophen-3-yl-propan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(1-methylindol-3-yl)-3-(3-thienyl)propan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-(1-methyl-3-indolyl)-3-(3-thiophenyl)-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(1-methylindol-3-yl)-3-thiophen-3-ylpropan-1-one Traditional Name: 3-(1-methylindol-3-yl)-1-(4-piperonylpiperazino)-3-(3-thienyl)propan-1-one Formula: C28H29N3O3S MolecularWeight: 487.61316

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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=CSC=C6

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O3S/c1-29-17-24(22-4-2-3-5-25(22)29)23(21-8-13-35-18-21)15-28(32)31-11-9-30(10-12-31)16-20-6-7-26-27(14-20)34-19-33-26/h2-8,13-14,17-18,23H,9-12,15-16,19H2,1H3