3-(3-chlorophenyl)-N-(2-oxidanylideneazepan-3-yl)-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(3-chlorophenyl)-N-(2-oxidanylideneazepan-3-yl)-1H-pyrazole-5-carboxamide Openeye Name: 3-(3-chlorophenyl)-N-(2-oxoazepan-3-yl)-1H-pyrazole-5-carboxamide CAS Name: 3-(3-chlorophenyl)-N-(2-oxo-3-azepanyl)-1H-pyrazole-5-carboxamide IUPAC Name: 3-(3-chlorophenyl)-N-(2-oxoazepan-3-yl)-1H-pyrazole-5-carboxamide Traditional Name: 3-(3-chlorophenyl)-N-(2-ketoazepan-3-yl)-1H-pyrazole-5-carboxamide Formula: C16H17ClN4O2 MolecularWeight: 332.78478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=CC(=NN2)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CCNC(=O)C(C1)NC(=O)C2=CC(=NN2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C16H17ClN4O2/c17-11-5-3-4-10(8-11)13-9-14(21-20-13)16(23)19-12-6-1-2-7-18-15(12)22/h3-5,8-9,12H,1-2,6-7H2,(H,18,22)(H,19,23)(H,20,21)