7-[4-(2-butoxyethoxy)phenyl]-1-(2-methylpropyl)-N-[4-[(1-propylimidazol-2-yl)methylsulfinyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide

Systemtic Name: 7-[4-(2-butoxyethoxy)phenyl]-1-(2-methylpropyl)-N-[4-[(1-propylimidazol-2-yl)methylsulfinyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide Openeye Name: 7-[4-(2-butoxyethoxy)phenyl]-1-isobutyl-N-[4-[(1-propylimidazol-2-yl)methylsulfinyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide CAS Name: 7-[4-(2-butoxyethoxy)phenyl]-1-(2-methylpropyl)-N-[4-[(1-propyl-2-imidazolyl)methylsulfinyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide IUPAC Name: 7-[4-(2-butoxyethoxy)phenyl]-1-(2-methylpropyl)-N-[4-[(1-propylimidazol-2-yl)methylsulfinyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide Traditional Name: 7-[4-(2-butoxyethoxy)phenyl]-1-isobutyl-N-[4-[(1-propylimidazol-2-yl)methylsulfinyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide Formula: C40H50N4O4S MolecularWeight: 682.9144

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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)S(=O)CC5=NC=CN5CCC)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)S(=O)CC5=NC=CN5CCC)CC(C)C

InChI

InChI=1S/C40H50N4O4S/c1-5-7-23-47-24-25-48-36-13-8-31(9-14-36)32-10-17-38-34(26-32)27-33(18-21-44(38)28-30(3)4)40(45)42-35-11-15-37(16-12-35)49(46)29-39-41-19-22-43(39)20-6-2/h8-17,19,22,26-27,30H,5-7,18,20-21,23-25,28-29H2,1-4H3,(H,42,45)