[2-(cycloheptylamino)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(cycloheptylamino)-2-oxo-ethyl] 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid [2-(cycloheptylamino)-2-oxoethyl] ester IUPAC Name: [2-(cycloheptylamino)-2-oxoethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-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:

CC1=NN(C(=C1C(=O)OCC(=O)NC2CCCCCC2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)NC2CCCCCC2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H24ClN3O3/c1-14-18(19(21)24(23-14)16-11-7-4-8-12-16)20(26)27-13-17(25)22-15-9-5-2-3-6-10-15/h4,7-8,11-12,15H,2-3,5-6,9-10,13H2,1H3,(H,22,25)