N-methyl-2-(1-oxidanidylpyridin-1-ium-2-yl)-2-oxidanyl-N-phenyl-1-[1-(1H-pyrazol-4-yl)ethyl]-3H-1-benzazepine-4-carboxamide

Systemtic Name: N-methyl-2-(1-oxidanidylpyridin-1-ium-2-yl)-2-oxidanyl-N-phenyl-1-[1-(1H-pyrazol-4-yl)ethyl]-3H-1-benzazepine-4-carboxamide Openeye Name: 2-hydroxy-N-methyl-2-(1-oxidopyridin-1-ium-2-yl)-N-phenyl-1-[1-(1H-pyrazol-4-yl)ethyl]-3H-1-benzazepine-4-carboxamide CAS Name: 2-hydroxy-N-methyl-2-(1-oxido-2-pyridin-1-iumyl)-N-phenyl-1-[1-(1H-pyrazol-4-yl)ethyl]-3H-1-benzazepine-4-carboxamide IUPAC Name: 2-hydroxy-N-methyl-2-(1-oxidopyridin-1-ium-2-yl)-N-phenyl-1-[1-(1H-pyrazol-4-yl)ethyl]-3H-1-benzazepine-4-carboxamide Traditional Name: 2-hydroxy-N-methyl-2-(1-oxidopyridin-1-ium-2-yl)-N-phenyl-1-[1-(1H-pyrazol-4-yl)ethyl]-3H-1-benzazepine-4-carboxamide Formula: C28H27N5O3 MolecularWeight: 481.54568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CNN=C1)N2C3=CC=CC=C3C=C(CC2(C4=CC=CC=[N+]4[O-])O)C(=O)N(C)C5=CC=CC=C5

Isomeric SMILES

CC(C1=CNN=C1)N2C3=CC=CC=C3C=C(CC2(C4=CC=CC=[N+]4[O-])O)C(=O)N(C)C5=CC=CC=C5

InChI

InChI=1S/C28H27N5O3/c1-20(23-18-29-30-19-23)33-25-13-7-6-10-21(25)16-22(27(34)31(2)24-11-4-3-5-12-24)17-28(33,35)26-14-8-9-15-32(26)36/h3-16,18-20,35H,17H2,1-2H3,(H,29,30)