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

Systemtic Name: [1-oxidanylidene-1-(phenethylamino)propan-2-yl] 4-pyrazol-1-ylbenzoate Openeye Name: [1-methyl-2-oxo-2-(phenethylamino)ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(phenethylamino)propan-2-yl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

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