N-[(4-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-[(4-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-(4-methyl-1-oxido-pyridin-1-ium-2-yl)methyl]-1-isobutyl-N-phenyl-2,3-dihydro-1-benzazepine-4-carboxamide CAS Name: N-[hydroxy-(4-methyl-1-oxido-2-pyridin-1-iumyl)methyl]-1-(2-methylpropyl)-N-phenyl-2,3-dihydro-1-benzazepine-4-carboxamide IUPAC Name: N-[hydroxy-(4-methyl-1-oxidopyridin-1-ium-2-yl)methyl]-1-(2-methylpropyl)-N-phenyl-2,3-dihydro-1-benzazepine-4-carboxamide Traditional Name: N-[hydroxy-(4-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=CC(=[N+](C=C1)[O-])C(N(C2=CC=CC=C2)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)C(=O)C3=CC4=CC=CC=C4N(CC3)CC(C)C)O

InChI

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