2-(2-chlorophenyl)-5-(4-fluorophenyl)-N-[(3S)-2-oxidanylideneazepan-3-yl]pyrazole-3-carboxamide

Systemtic Name: 2-(2-chlorophenyl)-5-(4-fluorophenyl)-N-[(3S)-2-oxidanylideneazepan-3-yl]pyrazole-3-carboxamide Openeye Name: 2-(2-chlorophenyl)-5-(4-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]pyrazole-3-carboxamide CAS Name: 2-(2-chlorophenyl)-5-(4-fluorophenyl)-N-[(3S)-2-oxo-3-azepanyl]-3-pyrazolecarboxamide IUPAC Name: 2-(2-chlorophenyl)-5-(4-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]pyrazole-3-carboxamide Traditional Name: 2-(2-chlorophenyl)-5-(4-fluorophenyl)-N-[(3S)-2-ketoazepan-3-yl]pyrazole-3-carboxamide Formula: C22H20ClFN4O2 MolecularWeight: 426.871203

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=CC(=NN2C3=CC=CC=C3Cl)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCNC(=O)[C@H](C1)NC(=O)C2=CC(=NN2C3=CC=CC=C3Cl)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H20ClFN4O2/c23-16-5-1-2-7-19(16)28-20(13-18(27-28)14-8-10-15(24)11-9-14)22(30)26-17-6-3-4-12-25-21(17)29/h1-2,5,7-11,13,17H,3-4,6,12H2,(H,25,29)(H,26,30)/t17-/m0/s1