[1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] 1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-[(5-chloro-2-pyridyl)amino]-1-methyl-2-oxo-ethyl] 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-4-pyrazolecarboxylic acid [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(5-chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 1-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid [2-[(5-chloro-2-pyridyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H17ClN4O3 MolecularWeight: 384.81628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)C2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=NC=C(C=C1)Cl)OC(=O)C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C19H17ClN4O3/c1-13(18(25)23-17-8-7-16(20)10-21-17)27-19(26)15-9-22-24(12-15)11-14-5-3-2-4-6-14/h2-10,12-13H,11H2,1H3,(H,21,23,25)