1-(2-acetamidoethanoyl)-7-[4-(2-butoxyethoxy)phenyl]-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide

Systemtic Name: 1-(2-acetamidoethanoyl)-7-[4-(2-butoxyethoxy)phenyl]-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide Openeye Name: 1-(2-acetamidoacetyl)-7-[4-(2-butoxyethoxy)phenyl]-N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide CAS Name: 1-(2-acetamido-1-oxoethyl)-7-[4-(2-butoxyethoxy)phenyl]-N-[4-[[methyl(4-oxanyl)amino]methyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide IUPAC Name: 1-(2-acetamidoacetyl)-7-[4-(2-butoxyethoxy)phenyl]-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide Traditional Name: 1-(2-acetamidoacetyl)-7-[4-(2-butoxyethoxy)phenyl]-N-[4-[[methyl(tetrahydropyran-4-yl)amino]methyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide Formula: C40H50N4O6 MolecularWeight: 682.8482

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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)CN(C)C5CCOCC5)C(=O)CNC(=O)C

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)N(CCC(=C3)C(=O)NC4=CC=C(C=C4)CN(C)C5CCOCC5)C(=O)CNC(=O)C

InChI

InChI=1S/C40H50N4O6/c1-4-5-20-48-23-24-50-37-13-8-31(9-14-37)32-10-15-38-34(25-32)26-33(16-19-44(38)39(46)27-41-29(2)45)40(47)42-35-11-6-30(7-12-35)28-43(3)36-17-21-49-22-18-36/h6-15,25-26,36H,4-5,16-24,27-28H2,1-3H3,(H,41,45)(H,42,47)