[1-oxidanylidene-1-(2-phenylpropylamino)propan-2-yl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [1-oxidanylidene-1-(2-phenylpropylamino)propan-2-yl] 4-pyrazol-1-ylbenzoate Openeye Name: [1-methyl-2-oxo-2-(2-phenylpropylamino)ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [1-oxo-1-(2-phenylpropylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2-phenylpropylamino)propan-2-yl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-keto-1-methyl-2-(2-phenylpropylamino)ethyl] ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C(C)OC(=O)C1=CC=C(C=C1)N2C=CC=N2)C3=CC=CC=C3

Isomeric SMILES

CC(CNC(=O)C(C)OC(=O)C1=CC=C(C=C1)N2C=CC=N2)C3=CC=CC=C3

InChI

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