N-[(4-methyl-1-oxidanidyl-pyridin-1-ium-2-yl)-oxidanyl-methyl]-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide

Systemtic Name: N-[(4-methyl-1-oxidanidyl-pyridin-1-ium-2-yl)-oxidanyl-methyl]-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide Openeye Name: N-[hydroxy-(4-methyl-1-oxido-pyridin-1-ium-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide CAS Name: N-[hydroxy-(4-methyl-1-oxido-2-pyridin-1-iumyl)methyl]-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide IUPAC Name: N-[hydroxy-(4-methyl-1-oxidopyridin-1-ium-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide Traditional Name: N-[hydroxy-(4-methyl-1-oxido-pyridin-1-ium-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide Formula: C25H22F3N3O3 MolecularWeight: 469.45569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C=C1)[O-])C(N(C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC4=CC=CC=C4NCC3)O

Isomeric SMILES

CC1=CC(=[N+](C=C1)[O-])C(N(C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC4=CC=CC=C4NCC3)O

InChI

InChI=1S/C25H22F3N3O3/c1-16-10-12-30(34)22(13-16)24(33)31(20-7-4-6-19(15-20)25(26,27)28)23(32)18-9-11-29-21-8-3-2-5-17(21)14-18/h2-8,10,12-15,24,29,33H,9,11H2,1H3