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

Systemtic Name: (E)-2-cyano-N-(2-methylphenyl)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-2-cyano-N-(o-tolyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(2-methylphenyl)-3-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-2-cyano-N-(2-methylphenyl)prop-2-enamide Traditional Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-2-cyano-N-(o-tolyl)acrylamide Formula: C26H21N5O MolecularWeight: 419.47784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21N5O/c1-19-8-5-6-12-24(19)29-26(32)22(15-27)14-23-18-31(17-20-9-3-2-4-10-20)30-25(23)21-11-7-13-28-16-21/h2-14,16,18H,17H2,1H3,(H,29,32)/b22-14+