[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CN(N=C2)CC3=CC=CC=C3Cl

Isomeric SMILES

C[C@@H](C(=O)N1CCCCCC1)OC(=O)C2=CN(N=C2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C20H24ClN3O3/c1-15(19(25)23-10-6-2-3-7-11-23)27-20(26)17-12-22-24(14-17)13-16-8-4-5-9-18(16)21/h4-5,8-9,12,14-15H,2-3,6-7,10-11,13H2,1H3/t15-/m0/s1