[2-(cycloheptylamino)-2-oxidanylidene-ethyl] 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl] 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate Openeye Name: [2-(cycloheptylamino)-2-oxo-ethyl] 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate CAS Name: 1-[(2-chlorophenyl)methyl]-4-pyrazolecarboxylic acid [2-(cycloheptylamino)-2-oxoethyl] ester IUPAC Name: [2-(cycloheptylamino)-2-oxoethyl] 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate Traditional Name: 1-(2-chlorobenzyl)pyrazole-4-carboxylic acid [2-(cycloheptylamino)-2-keto-ethyl] ester Formula: C20H24ClN3O3 MolecularWeight: 389.87586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)COC(=O)C2=CN(N=C2)CC3=CC=CC=C3Cl

Isomeric SMILES

C1CCCC(CC1)NC(=O)COC(=O)C2=CN(N=C2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C20H24ClN3O3/c21-18-10-6-5-7-15(18)12-24-13-16(11-22-24)20(26)27-14-19(25)23-17-8-3-1-2-4-9-17/h5-7,10-11,13,17H,1-4,8-9,12,14H2,(H,23,25)