3-(1-methylindol-3-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-thiophen-3-yl-propan-1-one

Systemtic Name: 3-(1-methylindol-3-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-thiophen-3-yl-propan-1-one Openeye Name: 1-[4-[(E)-cinnamyl]piperazin-1-yl]-3-(1-methylindol-3-yl)-3-(3-thienyl)propan-1-one CAS Name: 3-(1-methyl-3-indolyl)-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-3-(3-thiophenyl)-1-propanone IUPAC Name: 3-(1-methylindol-3-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-3-thiophen-3-ylpropan-1-one Traditional Name: 1-[4-[(E)-cinnamyl]piperazino]-3-(1-methylindol-3-yl)-3-(3-thienyl)propan-1-one Formula: C29H31N3OS MolecularWeight: 469.64094

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(CC(=O)N3CCN(CC3)CC=CC4=CC=CC=C4)C5=CSC=C5

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(CC(=O)N3CCN(CC3)C/C=C/C4=CC=CC=C4)C5=CSC=C5

InChI

InChI=1S/C29H31N3OS/c1-30-21-27(25-11-5-6-12-28(25)30)26(24-13-19-34-22-24)20-29(33)32-17-15-31(16-18-32)14-7-10-23-8-3-2-4-9-23/h2-13,19,21-22,26H,14-18,20H2,1H3/b10-7+