3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-2-cyano-N-(phenylmethyl)prop-2-enamide

Systemtic Name: 3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-2-cyano-N-(phenylmethyl)prop-2-enamide Openeye Name: N-benzyl-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-2-cyano-prop-2-enamide CAS Name: 3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-2-cyano-N-(phenylmethyl)-2-propenamide IUPAC Name: N-benzyl-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-cyanoprop-2-enamide Traditional Name: N-benzyl-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-2-cyano-acrylamide Formula: C21H17ClN4O MolecularWeight: 376.83888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C(C#N)C(=O)NCC2=CC=CC=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C=C(C#N)C(=O)NCC2=CC=CC=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H17ClN4O/c1-15-19(20(22)26(25-15)18-10-6-3-7-11-18)12-17(13-23)21(27)24-14-16-8-4-2-5-9-16/h2-12H,14H2,1H3,(H,24,27)