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

Systemtic Name: [1-[(2-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: [2-[(2-chlorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic acid [1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic acid [2-[(2-chlorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1Cl)OC(=O)C2=CC=C(C=C2)CN3C=CC=N3

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1Cl)OC(=O)C2=CC=C(C=C2)CN3C=CC=N3

InChI

InChI=1S/C21H20ClN3O3/c1-15(20(26)23-13-18-5-2-3-6-19(18)22)28-21(27)17-9-7-16(8-10-17)14-25-12-4-11-24-25/h2-12,15H,13-14H2,1H3,(H,23,26)