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

Systemtic Name: 1-(2-methylpropyl)-N-[(1-oxidanidyl-3-propoxy-pyridin-1-ium-2-yl)-oxidanyl-methyl]-N-phenyl-2,3-dihydro-1-benzazepine-4-carboxamide Openeye Name: N-[hydroxy-(1-oxido-3-propoxy-pyridin-1-ium-2-yl)methyl]-1-isobutyl-N-phenyl-2,3-dihydro-1-benzazepine-4-carboxamide CAS Name: N-[hydroxy-(1-oxido-3-propoxy-2-pyridin-1-iumyl)methyl]-1-(2-methylpropyl)-N-phenyl-2,3-dihydro-1-benzazepine-4-carboxamide IUPAC Name: N-[hydroxy-(1-oxido-3-propoxypyridin-1-ium-2-yl)methyl]-1-(2-methylpropyl)-N-phenyl-2,3-dihydro-1-benzazepine-4-carboxamide Traditional Name: N-[hydroxy-(1-oxido-3-propoxy-pyridin-1-ium-2-yl)methyl]-1-isobutyl-N-phenyl-2,3-dihydro-1-benzazepine-4-carboxamide Formula: C30H35N3O4 MolecularWeight: 501.6166

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C([N+](=CC=C1)[O-])C(N(C2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4N(CC3)CC(C)C)O

Isomeric SMILES

CCCOC1=C([N+](=CC=C1)[O-])C(N(C2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4N(CC3)CC(C)C)O

InChI

InChI=1S/C30H35N3O4/c1-4-19-37-27-15-10-17-32(36)28(27)30(35)33(25-12-6-5-7-13-25)29(34)24-16-18-31(21-22(2)3)26-14-9-8-11-23(26)20-24/h5-15,17,20,22,30,35H,4,16,18-19,21H2,1-3H3