[1-[4-(2-methylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [1-[4-(2-methylpropanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [1-methyl-2-[4-(2-methylpropanoylamino)phenyl]-2-oxo-ethyl] 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-4-pyrazolecarboxylic acid [1-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] 1-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid [2-[4-(isobutyrylamino)phenyl]-2-keto-1-methyl-ethyl] ester Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C24H25N3O4/c1-16(2)23(29)26-21-11-9-19(10-12-21)22(28)17(3)31-24(30)20-13-25-27(15-20)14-18-7-5-4-6-8-18/h4-13,15-17H,14H2,1-3H3,(H,26,29)