ethyl 5-[(2-aminophenyl)methyl]-1-(4-chlorophenyl)-3-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(2-aminophenyl)methyl]-1-(4-chlorophenyl)-3-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[(2-aminophenyl)methyl]-1-(4-chlorophenyl)-3-methyl-pyrazole-4-carboxylate CAS Name: 5-[(2-aminophenyl)methyl]-1-(4-chlorophenyl)-3-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-aminophenyl)methyl]-1-(4-chlorophenyl)-3-methylpyrazole-4-carboxylate Traditional Name: 5-(2-aminobenzyl)-1-(4-chlorophenyl)-3-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C20H20ClN3O2 MolecularWeight: 369.8447

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)Cl)CC3=CC=CC=C3N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C)C2=CC=C(C=C2)Cl)CC3=CC=CC=C3N

InChI

InChI=1S/C20H20ClN3O2/c1-3-26-20(25)19-13(2)23-24(16-10-8-15(21)9-11-16)18(19)12-14-6-4-5-7-17(14)22/h4-11H,3,12,22H2,1-2H3