methyl 4-[[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]amino]methyl]benzoate CAS Name: 4-[[[[1-[(2-chlorophenyl)methyl]-4-pyrazolyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]amino]methyl]benzoate Traditional Name: 4-[[[1-(2-chlorobenzyl)pyrazole-4-carbonyl]amino]methyl]benzoic acid methyl ester Formula: C20H18ClN3O3 MolecularWeight: 383.82822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CN(N=C2)CC3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CN(N=C2)CC3=CC=CC=C3Cl

InChI

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