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

Systemtic Name: N-(3-methylphenyl)-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-(m-tolyl)-2,3-dihydro-1-benzazepine-4-carboxamide CAS Name: N-[hydroxy-(1-oxido-2-pyridin-1-iumyl)methyl]-N-(3-methylphenyl)-1-(2-methylpropyl)-2,3-dihydro-1-benzazepine-4-carboxamide IUPAC Name: N-[hydroxy-(1-oxidopyridin-1-ium-2-yl)methyl]-N-(3-methylphenyl)-1-(2-methylpropyl)-2,3-dihydro-1-benzazepine-4-carboxamide Traditional Name: N-[hydroxy-(1-oxidopyridin-1-ium-2-yl)methyl]-1-isobutyl-N-(m-tolyl)-2,3-dihydro-1-benzazepine-4-carboxamide Formula: C28H31N3O3 MolecularWeight: 457.56404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C(C2=CC=CC=[N+]2[O-])O)C(=O)C3=CC4=CC=CC=C4N(CC3)CC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)N(C(C2=CC=CC=[N+]2[O-])O)C(=O)C3=CC4=CC=CC=C4N(CC3)CC(C)C

InChI

InChI=1S/C28H31N3O3/c1-20(2)19-29-16-14-23(18-22-10-4-5-12-25(22)29)27(32)31(24-11-8-9-21(3)17-24)28(33)26-13-6-7-15-30(26)34/h4-13,15,17-18,20,28,33H,14,16,19H2,1-3H3