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

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-oxo-2-(phenethylamino)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-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 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-(phenethylamino)ethyl] ester Formula: C27H24N4O3 MolecularWeight: 452.50446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24N4O3/c32-25(29-17-15-21-8-3-1-4-9-21)20-34-26(33)14-13-23-19-31(24-11-5-2-6-12-24)30-27(23)22-10-7-16-28-18-22/h1-14,16,18-19H,15,17,20H2,(H,29,32)