(E)-N-(3-chloranyl-2-methyl-phenyl)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-N-(3-chloranyl-2-methyl-phenyl)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-N-(3-chloro-2-methyl-phenyl)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: (E)-N-(3-chloro-2-methylphenyl)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-N-(3-chloro-2-methylphenyl)-2-cyano-3-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: (E)-N-(3-chloro-2-methyl-phenyl)-2-cyano-3-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]acrylamide Formula: C23H18ClN5O MolecularWeight: 415.87492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C(=CC2=CN(N=C2C3=CC=CC=C3)CCC#N)C#N

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)/C(=C/C2=CN(N=C2C3=CC=CC=C3)CCC#N)/C#N

InChI

InChI=1S/C23H18ClN5O/c1-16-20(24)9-5-10-21(16)27-23(30)18(14-26)13-19-15-29(12-6-11-25)28-22(19)17-7-3-2-4-8-17/h2-5,7-10,13,15H,6,12H2,1H3,(H,27,30)/b18-13+