(E)-2-(4-chlorophenyl)carbonyl-3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]prop-2-enenitrile

Systemtic Name: (E)-2-(4-chlorophenyl)carbonyl-3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]prop-2-enenitrile Openeye Name: (E)-2-(4-chlorobenzoyl)-3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]prop-2-enenitrile CAS Name: (E)-2-[(4-chlorophenyl)-oxomethyl]-3-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-2-propenenitrile IUPAC Name: (E)-2-(4-chlorobenzoyl)-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]prop-2-enenitrile Traditional Name: (E)-2-(4-chlorobenzoyl)-3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]acrylonitrile Formula: C21H17ClN4O2 MolecularWeight: 392.83828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=C(C#N)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N/C=C(\C#N)/C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H17ClN4O2/c1-14-19(21(28)26(25(14)2)18-6-4-3-5-7-18)24-13-16(12-23)20(27)15-8-10-17(22)11-9-15/h3-11,13,24H,1-2H3/b16-13+