3-[3-[(E)-3-(4-methyl-2-phenyl-piperazin-1-yl)-3-oxidanylidene-prop-1-enyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[(E)-3-(4-methyl-2-phenyl-piperazin-1-yl)-3-oxidanylidene-prop-1-enyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[(E)-3-(4-methyl-2-phenyl-piperazin-1-yl)-3-oxo-prop-1-enyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[(E)-3-(4-methyl-2-phenyl-1-piperazinyl)-3-oxoprop-1-enyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[(E)-3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxoprop-1-enyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[(E)-3-keto-3-(4-methyl-2-phenyl-piperazino)prop-1-enyl]indol-1-yl]propionitrile Formula: C25H26N4O MolecularWeight: 398.50014

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1)C2=CC=CC=C2)C(=O)C=CC3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

CN1CCN(C(C1)C2=CC=CC=C2)C(=O)/C=C/C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C25H26N4O/c1-27-16-17-29(24(19-27)20-8-3-2-4-9-20)25(30)13-12-21-18-28(15-7-14-26)23-11-6-5-10-22(21)23/h2-6,8-13,18,24H,7,15-17,19H2,1H3/b13-12+