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

Systemtic Name: N-methyl-1-(2-methylpropyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)-3-oxidanyl-N-phenyl-2,3-dihydro-1-benzazepine-4-carboxamide Openeye Name: 3-hydroxy-1-isobutyl-N-methyl-2-(1-oxidopyridin-1-ium-2-yl)-N-phenyl-2,3-dihydro-1-benzazepine-4-carboxamide CAS Name: 3-hydroxy-N-methyl-1-(2-methylpropyl)-2-(1-oxido-2-pyridin-1-iumyl)-N-phenyl-2,3-dihydro-1-benzazepine-4-carboxamide IUPAC Name: 3-hydroxy-N-methyl-1-(2-methylpropyl)-2-(1-oxidopyridin-1-ium-2-yl)-N-phenyl-2,3-dihydro-1-benzazepine-4-carboxamide Traditional Name: 3-hydroxy-1-isobutyl-N-methyl-2-(1-oxidopyridin-1-ium-2-yl)-N-phenyl-2,3-dihydro-1-benzazepine-4-carboxamide Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(C(C(=CC2=CC=CC=C21)C(=O)N(C)C3=CC=CC=C3)O)C4=CC=CC=[N+]4[O-]

Isomeric SMILES

CC(C)CN1C(C(C(=CC2=CC=CC=C21)C(=O)N(C)C3=CC=CC=C3)O)C4=CC=CC=[N+]4[O-]

InChI

InChI=1S/C27H29N3O3/c1-19(2)18-29-23-14-8-7-11-20(23)17-22(27(32)28(3)21-12-5-4-6-13-21)26(31)25(29)24-15-9-10-16-30(24)33/h4-17,19,25-26,31H,18H2,1-3H3