7-[4-(2-butoxyethoxy)phenyl]-N-[3-chloranyl-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-chloranyl-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-[3-chloro-4-[hydroxy-(1-oxidopyridin-1-ium-2-yl)methyl]phenyl]-1-isobutyl-2,3-dihydro-1-benzazepine-4-carboxamide CAS Name: 7-[4-(2-butoxyethoxy)phenyl]-N-[3-chloro-4-[hydroxy-(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-[3-chloro-4-[hydroxy-(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-[3-chloro-4-[hydroxy-(1-oxidopyridin-1-ium-2-yl)methyl]phenyl]-1-isobutyl-2,3-dihydro-1-benzazepine-4-carboxamide Formula: C39H44ClN3O5 MolecularWeight: 670.23676

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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)Cl)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)Cl)CC(C)C

InChI

InChI=1S/C39H44ClN3O5/c1-4-5-20-47-21-22-48-33-13-9-28(10-14-33)29-11-16-36-31(23-29)24-30(17-19-42(36)26-27(2)3)39(45)41-32-12-15-34(35(40)25-32)38(44)37-8-6-7-18-43(37)46/h6-16,18,23-25,27,38,44H,4-5,17,19-22,26H2,1-3H3,(H,41,45)