(E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]-2-(phenylcarbonyl)prop-2-enenitrile

Systemtic Name: (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]-2-(phenylcarbonyl)prop-2-enenitrile Openeye Name: (E)-2-benzoyl-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enenitrile CAS Name: (E)-2-benzoyl-3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-2-propenenitrile IUPAC Name: (E)-2-benzoyl-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enenitrile Traditional Name: (E)-2-benzoyl-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)acrylonitrile Formula: C21H16ClN3O MolecularWeight: 361.82424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C(C#N)C(=O)C2=CC=CC=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=C(\C#N)/C(=O)C2=CC=CC=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C21H16ClN3O/c1-15-19(12-18(13-23)20(26)17-10-6-3-7-11-17)21(22)25(24-15)14-16-8-4-2-5-9-16/h2-12H,14H2,1H3/b18-12+