(E)-2-cyano-N-(2-methylphenyl)-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(2-methylphenyl)-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)-2-cyano-N-(o-tolyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(2-methylphenyl)-3-[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-3-(1-benzyl-3-phenylpyrazol-4-yl)-2-cyano-N-(2-methylphenyl)prop-2-enamide Traditional Name: (E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)-2-cyano-N-(o-tolyl)acrylamide Formula: C27H22N4O MolecularWeight: 418.48978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(=CC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=CC=CC=C1NC(=O)/C(=C/C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4)/C#N

InChI

InChI=1S/C27H22N4O/c1-20-10-8-9-15-25(20)29-27(32)23(17-28)16-24-19-31(18-21-11-4-2-5-12-21)30-26(24)22-13-6-3-7-14-22/h2-16,19H,18H2,1H3,(H,29,32)/b23-16+