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

Systemtic Name: N-(3-methoxyphenyl)-1-(2-methylpropyl)-N-[(1-oxidanidylpyridin-1-ium-2-yl)-oxidanyl-methyl]-2,3-dihydro-1-benzazepine-4-carboxamide Openeye Name: N-[hydroxy-(1-oxidopyridin-1-ium-2-yl)methyl]-1-isobutyl-N-(3-methoxyphenyl)-2,3-dihydro-1-benzazepine-4-carboxamide CAS Name: N-[hydroxy-(1-oxido-2-pyridin-1-iumyl)methyl]-N-(3-methoxyphenyl)-1-(2-methylpropyl)-2,3-dihydro-1-benzazepine-4-carboxamide IUPAC Name: N-[hydroxy-(1-oxidopyridin-1-ium-2-yl)methyl]-N-(3-methoxyphenyl)-1-(2-methylpropyl)-2,3-dihydro-1-benzazepine-4-carboxamide Traditional Name: N-[hydroxy-(1-oxidopyridin-1-ium-2-yl)methyl]-1-isobutyl-N-(3-methoxyphenyl)-2,3-dihydro-1-benzazepine-4-carboxamide Formula: C28H31N3O4 MolecularWeight: 473.56344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCC(=CC2=CC=CC=C21)C(=O)N(C3=CC(=CC=C3)OC)C(C4=CC=CC=[N+]4[O-])O

Isomeric SMILES

CC(C)CN1CCC(=CC2=CC=CC=C21)C(=O)N(C3=CC(=CC=C3)OC)C(C4=CC=CC=[N+]4[O-])O

InChI

InChI=1S/C28H31N3O4/c1-20(2)19-29-16-14-22(17-21-9-4-5-12-25(21)29)27(32)31(23-10-8-11-24(18-23)35-3)28(33)26-13-6-7-15-30(26)34/h4-13,15,17-18,20,28,33H,14,16,19H2,1-3H3