7-[4-(2-butoxyethoxy)phenyl]-N-[4-[(5-methyl-1-oxidanidyl-pyridin-1-ium-2-yl)-oxidanyl-methyl]phenyl]-1-(2-methylpropyl)-2,3-dihydro-1-benzazepine-4-carboxamide

Systemtic Name: 7-[4-(2-butoxyethoxy)phenyl]-N-[4-[(5-methyl-1-oxidanidyl-pyridin-1-ium-2-yl)-oxidanyl-methyl]phenyl]-1-(2-methylpropyl)-2,3-dihydro-1-benzazepine-4-carboxamide Openeye Name: 7-[4-(2-butoxyethoxy)phenyl]-N-[4-[hydroxy-(5-methyl-1-oxido-pyridin-1-ium-2-yl)methyl]phenyl]-1-isobutyl-2,3-dihydro-1-benzazepine-4-carboxamide CAS Name: 7-[4-(2-butoxyethoxy)phenyl]-N-[4-[hydroxy-(5-methyl-1-oxido-2-pyridin-1-iumyl)methyl]phenyl]-1-(2-methylpropyl)-2,3-dihydro-1-benzazepine-4-carboxamide IUPAC Name: 7-[4-(2-butoxyethoxy)phenyl]-N-[4-[hydroxy-(5-methyl-1-oxidopyridin-1-ium-2-yl)methyl]phenyl]-1-(2-methylpropyl)-2,3-dihydro-1-benzazepine-4-carboxamide Traditional Name: 7-[4-(2-butoxyethoxy)phenyl]-N-[4-[hydroxy-(5-methyl-1-oxido-pyridin-1-ium-2-yl)methyl]phenyl]-1-isobutyl-2,3-dihydro-1-benzazepine-4-carboxamide Formula: C40H47N3O5 MolecularWeight: 649.81828

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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=[N+](C=C(C=C5)C)[O-])O)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C40H47N3O5/c1-5-6-21-47-22-23-48-36-15-10-30(11-16-36)32-12-18-37-34(24-32)25-33(19-20-42(37)26-28(2)3)40(45)41-35-13-8-31(9-14-35)39(44)38-17-7-29(4)27-43(38)46/h7-18,24-25,27-28,39,44H,5-6,19-23,26H2,1-4H3,(H,41,45)