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

Systemtic Name: 4-[(E)-2-cyano-3-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]-3-oxidanylidene-prop-1-enyl]-1,5-dimethyl-pyrrole-2-carbonitrile Openeye Name: 4-[(E)-2-cyano-3-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-oxo-prop-1-enyl]-1,5-dimethyl-pyrrole-2-carbonitrile CAS Name: 4-[(E)-2-cyano-3-[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]-3-oxoprop-1-enyl]-1,5-dimethyl-2-pyrrolecarbonitrile IUPAC Name: 4-[(E)-2-cyano-3-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-oxoprop-1-enyl]-1,5-dimethylpyrrole-2-carbonitrile Traditional Name: 4-[(E)-2-cyano-3-[4-(4-fluorobenzoyl)piperazino]-3-keto-prop-1-enyl]-1,5-dimethyl-pyrrole-2-carbonitrile Formula: C22H20FN5O2 MolecularWeight: 405.424903

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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)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C22H20FN5O2/c1-15-17(12-20(14-25)26(15)2)11-18(13-24)22(30)28-9-7-27(8-10-28)21(29)16-3-5-19(23)6-4-16/h3-6,11-12H,7-10H2,1-2H3/b18-11+