[1-[(2-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate

Systemtic Name: [1-[(2-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: [2-(2-acetylanilino)-1-methyl-2-oxo-ethyl] 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic acid [1-(2-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-acetylanilino)-1-oxopropan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic acid [2-(2-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)C)OC(=O)C2=CC=C(C=C2)CN3C=CC=N3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C(=O)C)OC(=O)C2=CC=C(C=C2)CN3C=CC=N3

InChI

InChI=1S/C22H21N3O4/c1-15(26)19-6-3-4-7-20(19)24-21(27)16(2)29-22(28)18-10-8-17(9-11-18)14-25-13-5-12-23-25/h3-13,16H,14H2,1-2H3,(H,24,27)