4-[(E)-2-cyano-3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]-1,5-dimethyl-pyrrole-2-carbonitrile

Systemtic Name: 4-[(E)-2-cyano-3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]-1,5-dimethyl-pyrrole-2-carbonitrile Openeye Name: 4-[(E)-2-cyano-3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-3-oxo-prop-1-enyl]-1,5-dimethyl-pyrrole-2-carbonitrile CAS Name: 4-[(E)-2-cyano-3-[4-[(4-cyanophenyl)methyl]-1-piperazinyl]-3-oxoprop-1-enyl]-1,5-dimethyl-2-pyrrolecarbonitrile IUPAC Name: 4-[(E)-2-cyano-3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-3-oxoprop-1-enyl]-1,5-dimethylpyrrole-2-carbonitrile Traditional Name: 4-[(E)-2-cyano-3-[4-(4-cyanobenzyl)piperazino]-3-keto-prop-1-enyl]-1,5-dimethyl-pyrrole-2-carbonitrile Formula: C23H22N6O MolecularWeight: 398.46038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C)C#N)C=C(C#N)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C=C(N1C)C#N)/C=C(\C#N)/C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H22N6O/c1-17-20(12-22(15-26)27(17)2)11-21(14-25)23(30)29-9-7-28(8-10-29)16-19-5-3-18(13-24)4-6-19/h3-6,11-12H,7-10,16H2,1-2H3/b21-11+