7-[4-(2-butoxyethoxy)phenyl]-N-[4-[(6-methyl-1-oxidanidyl-pyridin-1-ium-2-yl)-oxidanyl-methyl]phenyl]-1-[2,2,2-tris(fluoranyl)ethanoyl]-2,3-dihydro-1-benzazepine-4-carboxamide

Systemtic Name: 7-[4-(2-butoxyethoxy)phenyl]-N-[4-[(6-methyl-1-oxidanidyl-pyridin-1-ium-2-yl)-oxidanyl-methyl]phenyl]-1-[2,2,2-tris(fluoranyl)ethanoyl]-2,3-dihydro-1-benzazepine-4-carboxamide Openeye Name: 7-[4-(2-butoxyethoxy)phenyl]-N-[4-[hydroxy-(6-methyl-1-oxido-pyridin-1-ium-2-yl)methyl]phenyl]-1-(2,2,2-trifluoroacetyl)-2,3-dihydro-1-benzazepine-4-carboxamide CAS Name: 7-[4-(2-butoxyethoxy)phenyl]-N-[4-[hydroxy-(6-methyl-1-oxido-2-pyridin-1-iumyl)methyl]phenyl]-1-(2,2,2-trifluoro-1-oxoethyl)-2,3-dihydro-1-benzazepine-4-carboxamide IUPAC Name: 7-[4-(2-butoxyethoxy)phenyl]-N-[4-[hydroxy-(6-methyl-1-oxidopyridin-1-ium-2-yl)methyl]phenyl]-1-(2,2,2-trifluoroacetyl)-2,3-dihydro-1-benzazepine-4-carboxamide Traditional Name: 7-[4-(2-butoxyethoxy)phenyl]-N-[4-[hydroxy-(6-methyl-1-oxido-pyridin-1-ium-2-yl)methyl]phenyl]-1-(2,2,2-trifluoroacetyl)-2,3-dihydro-1-benzazepine-4-carboxamide Formula: C38H38F3N3O6 MolecularWeight: 689.72003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)NC4=CC=C(C=C4)C(C5=CC=CC(=[N+]5[O-])C)O)C(=O)C(F)(F)F

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)NC4=CC=C(C=C4)C(C5=CC=CC(=[N+]5[O-])C)O)C(=O)C(F)(F)F

InChI

InChI=1S/C38H38F3N3O6/c1-3-4-20-49-21-22-50-32-15-10-26(11-16-32)28-12-17-33-30(23-28)24-29(18-19-43(33)37(47)38(39,40)41)36(46)42-31-13-8-27(9-14-31)35(45)34-7-5-6-25(2)44(34)48/h5-17,23-24,35,45H,3-4,18-22H2,1-2H3,(H,42,46)