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

Systemtic Name: [2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(4-acetylanilino)-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 [2-(4-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-acetylanilino)-2-oxoethyl] (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-acetylanilino)-2-keto-ethyl] ester Formula: C27H22N4O4 MolecularWeight: 466.48798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22N4O4/c1-19(32)20-9-12-23(13-10-20)29-25(33)18-35-26(34)14-11-22-17-31(24-7-3-2-4-8-24)30-27(22)21-6-5-15-28-16-21/h2-17H,18H2,1H3,(H,29,33)/b14-11+