3-(1H-indol-3-yl)-1-[4-(phenylmethyl)piperazin-1-yl]-3-thiophen-3-yl-propan-1-one

Systemtic Name: 3-(1H-indol-3-yl)-1-[4-(phenylmethyl)piperazin-1-yl]-3-thiophen-3-yl-propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-(1H-indol-3-yl)-3-(3-thienyl)propan-1-one CAS Name: 3-(1H-indol-3-yl)-1-[4-(phenylmethyl)-1-piperazinyl]-3-(3-thiophenyl)-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-(1H-indol-3-yl)-3-thiophen-3-ylpropan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-(1H-indol-3-yl)-3-(3-thienyl)propan-1-one Formula: C26H27N3OS MolecularWeight: 429.57708

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CC(C3=CSC=C3)C4=CNC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CC(C3=CSC=C3)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C26H27N3OS/c30-26(29-13-11-28(12-14-29)18-20-6-2-1-3-7-20)16-23(21-10-15-31-19-21)24-17-27-25-9-5-4-8-22(24)25/h1-10,15,17,19,23,27H,11-14,16,18H2