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

Systemtic Name: N-(3-methoxyphenyl)-N-[(4-methyl-1-oxidanidyl-pyridin-1-ium-2-yl)-oxidanyl-methyl]-2,3-dihydro-1H-1-benzazepine-4-carboxamide Openeye Name: N-[hydroxy-(4-methyl-1-oxido-pyridin-1-ium-2-yl)methyl]-N-(3-methoxyphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide CAS Name: N-[hydroxy-(4-methyl-1-oxido-2-pyridin-1-iumyl)methyl]-N-(3-methoxyphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide IUPAC Name: N-[hydroxy-(4-methyl-1-oxidopyridin-1-ium-2-yl)methyl]-N-(3-methoxyphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide Traditional Name: N-[hydroxy-(4-methyl-1-oxido-pyridin-1-ium-2-yl)methyl]-N-(3-methoxyphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxamide Formula: C25H25N3O4 MolecularWeight: 431.4837

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O4/c1-17-11-13-27(31)23(14-17)25(30)28(20-7-5-8-21(16-20)32-2)24(29)19-10-12-26-22-9-4-3-6-18(22)15-19/h3-9,11,13-16,25-26,30H,10,12H2,1-2H3