(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C20H18ClN3O3 MolecularWeight: 383.82822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC(C2=CC=CC=C2)C(=O)N)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)OC(C2=CC=CC=C2)C(=O)N)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C20H18ClN3O3/c1-13-16(18(21)24(23-13)12-14-8-4-2-5-9-14)20(26)27-17(19(22)25)15-10-6-3-7-11-15/h2-11,17H,12H2,1H3,(H2,22,25)