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

Systemtic Name: (E)-2-cyano-3-[3-(3-methylphenyl)-1-(phenylmethyl)pyrazol-4-yl]-N-propan-2-yl-prop-2-enamide Openeye Name: (E)-3-[1-benzyl-3-(m-tolyl)pyrazol-4-yl]-2-cyano-N-isopropyl-prop-2-enamide CAS Name: (E)-2-cyano-3-[3-(3-methylphenyl)-1-(phenylmethyl)-4-pyrazolyl]-N-propan-2-yl-2-propenamide IUPAC Name: (E)-3-[1-benzyl-3-(3-methylphenyl)pyrazol-4-yl]-2-cyano-N-propan-2-ylprop-2-enamide Traditional Name: (E)-3-[1-benzyl-3-(m-tolyl)pyrazol-4-yl]-2-cyano-N-isopropyl-acrylamide Formula: C24H24N4O MolecularWeight: 384.47356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN(C=C2C=C(C#N)C(=O)NC(C)C)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C24H24N4O/c1-17(2)26-24(29)21(14-25)13-22-16-28(15-19-9-5-4-6-10-19)27-23(22)20-11-7-8-18(3)12-20/h4-13,16-17H,15H2,1-3H3,(H,26,29)/b21-13+