5-(2-chlorophenyl)-N-[(3S)-2-oxidanylideneazepan-3-yl]-2-phenyl-pyrazole-3-carboxamide

Systemtic Name: 5-(2-chlorophenyl)-N-[(3S)-2-oxidanylideneazepan-3-yl]-2-phenyl-pyrazole-3-carboxamide Openeye Name: 5-(2-chlorophenyl)-N-[(3S)-2-oxoazepan-3-yl]-2-phenyl-pyrazole-3-carboxamide CAS Name: 5-(2-chlorophenyl)-N-[(3S)-2-oxo-3-azepanyl]-2-phenyl-3-pyrazolecarboxamide IUPAC Name: 5-(2-chlorophenyl)-N-[(3S)-2-oxoazepan-3-yl]-2-phenylpyrazole-3-carboxamide Traditional Name: 5-(2-chlorophenyl)-N-[(3S)-2-ketoazepan-3-yl]-2-phenyl-pyrazole-3-carboxamide Formula: C22H21ClN4O2 MolecularWeight: 408.88074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4Cl

Isomeric SMILES

C1CCNC(=O)[C@H](C1)NC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H21ClN4O2/c23-17-11-5-4-10-16(17)19-14-20(27(26-19)15-8-2-1-3-9-15)22(29)25-18-12-6-7-13-24-21(18)28/h1-5,8-11,14,18H,6-7,12-13H2,(H,24,28)(H,25,29)/t18-/m0/s1