[2-[[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]amino]-2-oxidanylidene-1-phenyl-ethyl] ethanoate

Systemtic Name: [2-[[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]amino]-2-oxidanylidene-1-phenyl-ethyl] ethanoate Openeye Name: [2-[[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]amino]-2-oxo-1-phenyl-ethyl] acetate CAS Name: acetic acid [2-[[1-[(3-cyanophenyl)methyl]-4-pyrazolyl]amino]-2-oxo-1-phenylethyl] ester IUPAC Name: [2-[[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]amino]-2-oxo-1-phenylethyl] acetate Traditional Name: acetic acid [2-[[1-(3-cyanobenzyl)pyrazol-4-yl]amino]-2-keto-1-phenyl-ethyl] ester Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=CC=CC=C1)C(=O)NC2=CN(N=C2)CC3=CC=CC(=C3)C#N

Isomeric SMILES

CC(=O)OC(C1=CC=CC=C1)C(=O)NC2=CN(N=C2)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H18N4O3/c1-15(26)28-20(18-8-3-2-4-9-18)21(27)24-19-12-23-25(14-19)13-17-7-5-6-16(10-17)11-22/h2-10,12,14,20H,13H2,1H3,(H,24,27)