[1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate

Systemtic Name: [1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: [1-methyl-2-oxo-2-(p-tolylmethylamino)ethyl] 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic acid [1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic acid [2-keto-1-methyl-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C)OC(=O)C2=CC=C(C=C2)CN3C=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C(C)OC(=O)C2=CC=C(C=C2)CN3C=CC=N3

InChI

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