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

Systemtic Name: 4-[(E)-3-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyano-3-oxidanylidene-prop-1-enyl]-1,5-dimethyl-pyrrole-2-carbonitrile Openeye Name: 4-[(E)-3-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyano-3-oxo-prop-1-enyl]-1,5-dimethyl-pyrrole-2-carbonitrile CAS Name: 4-[(E)-3-[4-(3-chlorophenyl)-1-piperazinyl]-2-cyano-3-oxoprop-1-enyl]-1,5-dimethyl-2-pyrrolecarbonitrile IUPAC Name: 4-[(E)-3-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyano-3-oxoprop-1-enyl]-1,5-dimethylpyrrole-2-carbonitrile Traditional Name: 4-[(E)-3-[4-(3-chlorophenyl)piperazino]-2-cyano-3-keto-prop-1-enyl]-1,5-dimethyl-pyrrole-2-carbonitrile Formula: C21H20ClN5O MolecularWeight: 393.8694

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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)C3=CC(=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN5O/c1-15-16(11-20(14-24)25(15)2)10-17(13-23)21(28)27-8-6-26(7-9-27)19-5-3-4-18(22)12-19/h3-5,10-12H,6-9H2,1-2H3/b17-10+