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

Systemtic Name: [1-oxidanylidene-1-(1-phenylethylamino)propan-2-yl] 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(1-phenylethylamino)ethyl] 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-4-pyrazolecarboxylic acid [1-oxo-1-(1-phenylethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(1-phenylethylamino)propan-2-yl] 1-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid [2-keto-1-methyl-2-(1-phenylethylamino)ethyl] ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3/c1-16(19-11-7-4-8-12-19)24-21(26)17(2)28-22(27)20-13-23-25(15-20)14-18-9-5-3-6-10-18/h3-13,15-17H,14H2,1-2H3,(H,24,26)