3-[3-[(E)-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[(E)-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[(E)-3-[4-(m-tolyl)piperazin-1-yl]-3-oxo-prop-1-enyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[(E)-3-[4-(3-methylphenyl)-1-piperazinyl]-3-oxoprop-1-enyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[(E)-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxoprop-1-enyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[(E)-3-keto-3-[4-(m-tolyl)piperazino]prop-1-enyl]indol-1-yl]propionitrile Formula: C25H26N4O MolecularWeight: 398.50014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C=CC3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)/C=C/C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C25H26N4O/c1-20-6-4-7-22(18-20)27-14-16-28(17-15-27)25(30)11-10-21-19-29(13-5-12-26)24-9-3-2-8-23(21)24/h2-4,6-11,18-19H,5,13-17H2,1H3/b11-10+