1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(1-methylindol-3-yl)-3-thiophen-2-yl-propan-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(1-methylindol-3-yl)-3-thiophen-2-yl-propan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(1-methylindol-3-yl)-3-(2-thienyl)propan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-(1-methyl-3-indolyl)-3-thiophen-2-yl-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropan-1-one Traditional Name: 3-(1-methylindol-3-yl)-1-(4-piperonylpiperazino)-3-(2-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=CC=CS6

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C6=CC=CS6

InChI

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