[3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-methyl-carbamoyl]phenyl] ethanoate

Systemtic Name: [3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-methyl-carbamoyl]phenyl] ethanoate Openeye Name: [3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-methyl-carbamoyl]phenyl] acetate CAS Name: acetic acid [3-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-methylamino]-oxomethyl]phenyl] ester IUPAC Name: [3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylcarbamoyl]phenyl] acetate Traditional Name: acetic acid [3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-methyl-carbamoyl]phenyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C(=O)C3=CC(=CC=C3)OC(=O)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C(=O)C3=CC(=CC=C3)OC(=O)C

InChI

InChI=1S/C21H21N3O4/c1-14-19(21(27)24(23(14)4)17-10-6-5-7-11-17)22(3)20(26)16-9-8-12-18(13-16)28-15(2)25/h5-13H,1-4H3