[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(2-methylanilino)-2-oxo-ethyl] 3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-enoate CAS Name: 3-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]-2-propenoic acid [2-(2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylanilino)-2-oxoethyl] 3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoate Traditional Name: 3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]acrylic acid [2-keto-2-(o-toluidino)ethyl] ester Formula: C26H22N4O3 MolecularWeight: 438.47788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22N4O3/c1-19-8-5-6-12-23(19)28-24(31)18-33-25(32)14-13-21-17-30(22-10-3-2-4-11-22)29-26(21)20-9-7-15-27-16-20/h2-17H,18H2,1H3,(H,28,31)