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

Systemtic Name: 4-[(E)-2-cyano-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]-1,5-dimethyl-pyrrole-2-carbonitrile Openeye Name: 4-[(E)-2-cyano-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxo-prop-1-enyl]-1,5-dimethyl-pyrrole-2-carbonitrile CAS Name: 4-[(E)-2-cyano-3-[4-(2,3-dimethylphenyl)-1-piperazinyl]-3-oxoprop-1-enyl]-1,5-dimethyl-2-pyrrolecarbonitrile IUPAC Name: 4-[(E)-2-cyano-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxoprop-1-enyl]-1,5-dimethylpyrrole-2-carbonitrile Traditional Name: 4-[(E)-2-cyano-3-[4-(2,3-dimethylphenyl)piperazino]-3-keto-prop-1-enyl]-1,5-dimethyl-pyrrole-2-carbonitrile Formula: C23H25N5O MolecularWeight: 387.4775

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C(=CC3=C(N(C(=C3)C#N)C)C)C#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)/C(=C/C3=C(N(C(=C3)C#N)C)C)/C#N)C

InChI

InChI=1S/C23H25N5O/c1-16-6-5-7-22(17(16)2)27-8-10-28(11-9-27)23(29)20(14-24)12-19-13-21(15-25)26(4)18(19)3/h5-7,12-13H,8-11H2,1-4H3/b20-12+