7-[4-(2-butoxyethoxy)phenyl]-N-[4-[(6-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-[(6-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-(6-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-(6-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-(6-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-(6-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=CC=CC(=[N+]5[O-])C)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=CC=CC(=[N+]5[O-])C)O)CC(C)C

InChI

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