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

Systemtic Name: N-(3-methoxyphenyl)-N-[(4-methyl-1-oxidanidyl-pyridin-1-ium-2-yl)-oxidanyl-methyl]-1-(2-methylpropyl)-2,3-dihydro-1-benzazepine-4-carboxamide Openeye Name: N-[hydroxy-(4-methyl-1-oxido-pyridin-1-ium-2-yl)methyl]-1-isobutyl-N-(3-methoxyphenyl)-2,3-dihydro-1-benzazepine-4-carboxamide CAS Name: N-[hydroxy-(4-methyl-1-oxido-2-pyridin-1-iumyl)methyl]-N-(3-methoxyphenyl)-1-(2-methylpropyl)-2,3-dihydro-1-benzazepine-4-carboxamide IUPAC Name: N-[hydroxy-(4-methyl-1-oxidopyridin-1-ium-2-yl)methyl]-N-(3-methoxyphenyl)-1-(2-methylpropyl)-2,3-dihydro-1-benzazepine-4-carboxamide Traditional Name: N-[hydroxy-(4-methyl-1-oxido-pyridin-1-ium-2-yl)methyl]-1-isobutyl-N-(3-methoxyphenyl)-2,3-dihydro-1-benzazepine-4-carboxamide Formula: C29H33N3O4 MolecularWeight: 487.59002

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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=C4N(CC3)CC(C)C)O

Isomeric SMILES

CC1=CC(=[N+](C=C1)[O-])C(N(C2=CC(=CC=C2)OC)C(=O)C3=CC4=CC=CC=C4N(CC3)CC(C)C)O

InChI

InChI=1S/C29H33N3O4/c1-20(2)19-30-14-13-23(17-22-8-5-6-11-26(22)30)28(33)32(24-9-7-10-25(18-24)36-4)29(34)27-16-21(3)12-15-31(27)35/h5-12,15-18,20,29,34H,13-14,19H2,1-4H3