3-(1H-indol-3-yl)-3-(3-methylphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one

Systemtic Name: 3-(1H-indol-3-yl)-3-(3-methylphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one Openeye Name: 1-[4-[(E)-cinnamyl]piperazin-1-yl]-3-(1H-indol-3-yl)-3-(m-tolyl)propan-1-one CAS Name: 3-(1H-indol-3-yl)-3-(3-methylphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(1H-indol-3-yl)-3-(3-methylphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one Traditional Name: 1-[4-[(E)-cinnamyl]piperazino]-3-(1H-indol-3-yl)-3-(m-tolyl)propan-1-one Formula: C31H33N3O MolecularWeight: 463.61322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CC(=O)N2CCN(CC2)CC=CC3=CC=CC=C3)C4=CNC5=CC=CC=C54

Isomeric SMILES

CC1=CC(=CC=C1)C(CC(=O)N2CCN(CC2)C/C=C/C3=CC=CC=C3)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C31H33N3O/c1-24-9-7-13-26(21-24)28(29-23-32-30-15-6-5-14-27(29)30)22-31(35)34-19-17-33(18-20-34)16-8-12-25-10-3-2-4-11-25/h2-15,21,23,28,32H,16-20,22H2,1H3/b12-8+