N-[(5-methyl-1-oxidanidyl-pyridin-1-ium-2-yl)-oxidanyl-methyl]-1-(2-methylpropyl)-N-phenyl-2,3-dihydro-1-benzazepine-4-carboxamide

Systemtic Name: N-[(5-methyl-1-oxidanidyl-pyridin-1-ium-2-yl)-oxidanyl-methyl]-1-(2-methylpropyl)-N-phenyl-2,3-dihydro-1-benzazepine-4-carboxamide Openeye Name: N-[hydroxy-(5-methyl-1-oxido-pyridin-1-ium-2-yl)methyl]-1-isobutyl-N-phenyl-2,3-dihydro-1-benzazepine-4-carboxamide CAS Name: N-[hydroxy-(5-methyl-1-oxido-2-pyridin-1-iumyl)methyl]-1-(2-methylpropyl)-N-phenyl-2,3-dihydro-1-benzazepine-4-carboxamide IUPAC Name: N-[hydroxy-(5-methyl-1-oxidopyridin-1-ium-2-yl)methyl]-1-(2-methylpropyl)-N-phenyl-2,3-dihydro-1-benzazepine-4-carboxamide Traditional Name: N-[hydroxy-(5-methyl-1-oxido-pyridin-1-ium-2-yl)methyl]-1-isobutyl-N-phenyl-2,3-dihydro-1-benzazepine-4-carboxamide Formula: C28H31N3O3 MolecularWeight: 457.56404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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