1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(7-ethyl-1H-indol-3-yl)-3-thiophen-3-yl-propan-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(7-ethyl-1H-indol-3-yl)-3-thiophen-3-yl-propan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-thienyl)propan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-thiophenyl)-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(7-ethyl-1H-indol-3-yl)-3-thiophen-3-ylpropan-1-one Traditional Name: 3-(7-ethyl-1H-indol-3-yl)-1-(4-piperonylpiperazino)-3-(3-thienyl)propan-1-one Formula: C29H31N3O3S MolecularWeight: 501.63974

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C6=CSC=C6

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C6=CSC=C6

InChI

InChI=1S/C29H31N3O3S/c1-2-21-4-3-5-23-25(16-30-29(21)23)24(22-8-13-36-18-22)15-28(33)32-11-9-31(10-12-32)17-20-6-7-26-27(14-20)35-19-34-26/h3-8,13-14,16,18,24,30H,2,9-12,15,17,19H2,1H3