4-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-(3-fluorophenyl)carbonyl-2-methoxy-3-phenyl-benzamide

Systemtic Name: 4-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-(3-fluorophenyl)carbonyl-2-methoxy-3-phenyl-benzamide Openeye Name: 4-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-(3-fluorobenzoyl)-2-methoxy-3-phenyl-benzamide CAS Name: 4-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-[(3-fluorophenyl)-oxomethyl]-2-methoxy-3-phenylbenzamide IUPAC Name: 4-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-(3-fluorobenzoyl)-2-methoxy-3-phenylbenzamide Traditional Name: 4-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-(3-fluorobenzoyl)-2-methoxy-3-phenyl-benzamide Formula: C36H37FN2O5 MolecularWeight: 596.687783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CCCCC3=C(C(=C(C=C3C(=O)C4=CC(=CC=C4)F)C(=O)N)OC)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CCCCC3=C(C(=C(C=C3C(=O)C4=CC(=CC=C4)F)C(=O)N)OC)C5=CC=CC=C5)OC

InChI

InChI=1S/C36H37FN2O5/c1-42-31-19-24-15-17-39(22-26(24)20-32(31)43-2)16-8-7-14-28-29(34(40)25-12-9-13-27(37)18-25)21-30(36(38)41)35(44-3)33(28)23-10-5-4-6-11-23/h4-6,9-13,18-21H,7-8,14-17,22H2,1-3H3,(H2,38,41)