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

Systemtic Name: 4-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(4-methoxyphenyl)carbonyl-2-phenyl-benzamide Openeye Name: 4-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(4-methoxybenzoyl)-2-phenyl-benzamide CAS Name: 4-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-[(4-methoxyphenyl)-oxomethyl]-2-phenylbenzamide IUPAC Name: 4-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-(4-methoxybenzoyl)-2-phenylbenzamide Traditional Name: 4-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-p-anisoyl-2-phenyl-benzamide Formula: C36H38N2O5 MolecularWeight: 578.69732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2C3=CC=CC=C3)C(=O)N)CCCCN4CCC5=CC(=C(C=C5C4)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2C3=CC=CC=C3)C(=O)N)CCCCN4CCC5=CC(=C(C=C5C4)OC)OC

InChI

InChI=1S/C36H38N2O5/c1-41-29-15-12-26(13-16-29)35(39)34-25(14-17-30(36(37)40)33(34)24-9-5-4-6-10-24)11-7-8-19-38-20-18-27-21-31(42-2)32(43-3)22-28(27)23-38/h4-6,9-10,12-17,21-22H,7-8,11,18-20,23H2,1-3H3,(H2,37,40)