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

Systemtic Name: N-[(1-oxidanidylpyridin-1-ium-2-yl)-oxidanyl-methyl]-1-propyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide Openeye Name: N-[hydroxy-(1-oxidopyridin-1-ium-2-yl)methyl]-1-propyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide CAS Name: N-[hydroxy-(1-oxido-2-pyridin-1-iumyl)methyl]-1-propyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide IUPAC Name: N-[hydroxy-(1-oxidopyridin-1-ium-2-yl)methyl]-1-propyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide Traditional Name: N-[hydroxy-(1-oxidopyridin-1-ium-2-yl)methyl]-1-propyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide Formula: C27H26F3N3O3 MolecularWeight: 497.50885

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(=CC2=CC=CC=C21)C(=O)N(C3=CC=CC(=C3)C(F)(F)F)C(C4=CC=CC=[N+]4[O-])O

Isomeric SMILES

CCCN1CCC(=CC2=CC=CC=C21)C(=O)N(C3=CC=CC(=C3)C(F)(F)F)C(C4=CC=CC=[N+]4[O-])O

InChI

InChI=1S/C27H26F3N3O3/c1-2-14-31-16-13-20(17-19-8-3-4-11-23(19)31)25(34)33(26(35)24-12-5-6-15-32(24)36)22-10-7-9-21(18-22)27(28,29)30/h3-12,15,17-18,26,35H,2,13-14,16H2,1H3