[1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(4-acetamidoanilino)-1-methyl-2-oxo-ethyl] (E)-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]-2-propenoic acid [1-(4-acetamidoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetamidoanilino)-1-oxopropan-2-yl] (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]acrylic acid [2-(4-acetamidoanilino)-2-keto-1-methyl-ethyl] ester Formula: C28H25N5O4 MolecularWeight: 495.5292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)C=CC2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)/C=C/C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H25N5O4/c1-19(28(36)31-24-13-11-23(12-14-24)30-20(2)34)37-26(35)15-10-22-18-33(25-8-4-3-5-9-25)32-27(22)21-7-6-16-29-17-21/h3-19H,1-2H3,(H,30,34)(H,31,36)/b15-10+