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

Systemtic Name: 7-[4-(2-butoxyethoxy)phenyl]-1-(2-methylpropyl)-N-[4-[(3-propyl-1,2,3-triazol-4-yl)methylsulfinyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide Openeye Name: 7-[4-(2-butoxyethoxy)phenyl]-1-isobutyl-N-[4-[(3-propyltriazol-4-yl)methylsulfinyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide CAS Name: 7-[4-(2-butoxyethoxy)phenyl]-1-(2-methylpropyl)-N-[4-[(3-propyl-4-triazolyl)methylsulfinyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide IUPAC Name: 7-[4-(2-butoxyethoxy)phenyl]-1-(2-methylpropyl)-N-[4-[(3-propyltriazol-4-yl)methylsulfinyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide Traditional Name: 7-[4-(2-butoxyethoxy)phenyl]-1-isobutyl-N-[4-[(3-propyltriazol-4-yl)methylsulfinyl]phenyl]-2,3-dihydro-1-benzazepine-4-carboxamide Formula: C39H49N5O4S MolecularWeight: 683.90246

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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=CN=NN5CCC)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=CN=NN5CCC)CC(C)C

InChI

InChI=1S/C39H49N5O4S/c1-5-7-21-47-22-23-48-36-13-8-30(9-14-36)31-10-17-38-33(24-31)25-32(18-20-43(38)27-29(3)4)39(45)41-34-11-15-37(16-12-34)49(46)28-35-26-40-42-44(35)19-6-2/h8-17,24-26,29H,5-7,18-23,27-28H2,1-4H3,(H,41,45)