[1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 2-(1-phenylpyrazol-4-yl)ethanoate

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 2-(1-phenylpyrazol-4-yl)ethanoate Openeye Name: [2-(benzylamino)-1-methyl-2-oxo-ethyl] 2-(1-phenylpyrazol-4-yl)acetate CAS Name: 2-(1-phenyl-4-pyrazolyl)acetic acid [1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [1-(benzylamino)-1-oxopropan-2-yl] 2-(1-phenylpyrazol-4-yl)acetate Traditional Name: 2-(1-phenylpyrazol-4-yl)acetic acid [2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)OC(=O)CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)OC(=O)CC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3/c1-16(21(26)22-13-17-8-4-2-5-9-17)27-20(25)12-18-14-23-24(15-18)19-10-6-3-7-11-19/h2-11,14-16H,12-13H2,1H3,(H,22,26)