(E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-2-(3-methylphenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-2-(3-methylphenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-2-(3-methylbenzoyl)prop-2-enenitrile CAS Name: (E)-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-2-[(3-methylphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-(3-methylbenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-2-m-toluoyl-acrylonitrile Formula: C21H16ClN3O MolecularWeight: 361.82424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C(=CC2=C(N(N=C2C)C3=CC=CC=C3)Cl)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)/C(=C/C2=C(N(N=C2C)C3=CC=CC=C3)Cl)/C#N

InChI

InChI=1S/C21H16ClN3O/c1-14-7-6-8-16(11-14)20(26)17(13-23)12-19-15(2)24-25(21(19)22)18-9-4-3-5-10-18/h3-12H,1-2H3/b17-12+