2-[(7-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-phenylbutyl)benzamide

Systemtic Name: 2-[(7-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-phenylbutyl)benzamide Openeye Name: 2-[(7-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-phenylbutyl)benzamide CAS Name: 2-[(7-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-phenylbutyl)benzamide IUPAC Name: 2-[(7-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-phenylbutyl)benzamide Traditional Name: 2-[(7-acetamido-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-phenylbutyl)benzamide Formula: C29H33N3O2 MolecularWeight: 455.59122

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(CCN(C2)CC3=CC=CC=C3C(=O)NCCCCC4=CC=CC=C4)C=C1

Isomeric SMILES

CC(=O)NC1=CC2=C(CCN(C2)CC3=CC=CC=C3C(=O)NCCCCC4=CC=CC=C4)C=C1

InChI

InChI=1S/C29H33N3O2/c1-22(33)31-27-15-14-24-16-18-32(21-26(24)19-27)20-25-12-5-6-13-28(25)29(34)30-17-8-7-11-23-9-3-2-4-10-23/h2-6,9-10,12-15,19H,7-8,11,16-18,20-21H2,1H3,(H,30,34)(H,31,33)