(E)-N-(3-acetamido-2-methyl-phenyl)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-N-(3-acetamido-2-methyl-phenyl)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-N-(3-acetamido-2-methyl-phenyl)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-enamide CAS Name: (E)-N-(3-acetamido-2-methylphenyl)-3-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-N-(3-acetamido-2-methylphenyl)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-(3-acetamido-2-methyl-phenyl)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]acrylamide Formula: C27H25N5O2 MolecularWeight: 451.5197

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N5O2/c1-19-24(29-20(2)33)11-6-12-25(19)30-26(34)14-13-23-18-32(17-21-8-4-3-5-9-21)31-27(23)22-10-7-15-28-16-22/h3-16,18H,17H2,1-2H3,(H,29,33)(H,30,34)/b14-13+