propan-2-yl N'-(pyridin-3-ylmethyl)-N-[4-(trifluoromethyl)phenyl]carbonyl-carbamimidate

Systemtic Name: propan-2-yl N'-(pyridin-3-ylmethyl)-N-[4-(trifluoromethyl)phenyl]carbonyl-carbamimidate Openeye Name: N-[C-isopropoxy-N-(3-pyridylmethyl)carbonimidoyl]-4-(trifluoromethyl)benzamide CAS Name: N-[oxo-[4-(trifluoromethyl)phenyl]methyl]-N'-(3-pyridinylmethyl)carbamimidic acid propan-2-yl ester IUPAC Name: propan-2-yl N'-(pyridin-3-ylmethyl)-N-[4-(trifluoromethyl)benzoyl]carbamimidate Traditional Name: N-[C-isopropoxy-N-(3-pyridylmethyl)carbonimidoyl]-4-(trifluoromethyl)benzamide Formula: C18H18F3N3O2 MolecularWeight: 365.34963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=NCC1=CN=CC=C1)NC(=O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC(C)OC(=NCC1=CN=CC=C1)NC(=O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C18H18F3N3O2/c1-12(2)26-17(23-11-13-4-3-9-22-10-13)24-16(25)14-5-7-15(8-6-14)18(19,20)21/h3-10,12H,11H2,1-2H3,(H,23,24,25)