N-[(3R)-2-oxidanylideneazepan-3-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: N-[(3R)-2-oxidanylideneazepan-3-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: N-[(3R)-2-oxoazepan-3-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: N-[(3R)-2-oxo-3-azepanyl]-1-phenyl-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: N-[(3R)-2-oxoazepan-3-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: N-[(3R)-2-ketoazepan-3-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C17H17F3N4O2 MolecularWeight: 366.33769

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=C(N(N=C2)C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

C1CCNC(=O)[C@@H](C1)NC(=O)C2=C(N(N=C2)C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C17H17F3N4O2/c18-17(19,20)14-12(10-22-24(14)11-6-2-1-3-7-11)15(25)23-13-8-4-5-9-21-16(13)26/h1-3,6-7,10,13H,4-5,8-9H2,(H,21,26)(H,23,25)/t13-/m1/s1