7-[4-(2-butoxyethoxy)phenyl]-N-[3-methyl-4-[(1-oxidanidylpyridin-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-[3-methyl-4-[(1-oxidanidylpyridin-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-(1-oxidopyridin-1-ium-2-yl)methyl]-3-methyl-phenyl]-1-isobutyl-2,3-dihydro-1-benzazepine-4-carboxamide CAS Name: 7-[4-(2-butoxyethoxy)phenyl]-N-[4-[hydroxy-(1-oxido-2-pyridin-1-iumyl)methyl]-3-methylphenyl]-1-(2-methylpropyl)-2,3-dihydro-1-benzazepine-4-carboxamide IUPAC Name: 7-[4-(2-butoxyethoxy)phenyl]-N-[4-[hydroxy-(1-oxidopyridin-1-ium-2-yl)methyl]-3-methylphenyl]-1-(2-methylpropyl)-2,3-dihydro-1-benzazepine-4-carboxamide Traditional Name: 7-[4-(2-butoxyethoxy)phenyl]-N-[4-[hydroxy-(1-oxidopyridin-1-ium-2-yl)methyl]-3-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-])O)C)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-])O)C)CC(C)C

InChI

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