2-[[6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-N-(4-phenylbutyl)benzamide

Systemtic Name: 2-[[6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-N-(4-phenylbutyl)benzamide Openeye Name: 2-[(6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-phenylbutyl)benzamide CAS Name: 2-[(6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-phenylbutyl)benzamide IUPAC Name: 2-[(6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-phenylbutyl)benzamide Traditional Name: 2-[(6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-(4-phenylbutyl)benzamide Formula: C27H30N2O3 MolecularWeight: 430.5387

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC(=C(C=C21)O)O)CC3=CC=CC=C3C(=O)NCCCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=CC(=C(C=C21)O)O)CC3=CC=CC=C3C(=O)NCCCCC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O3/c30-25-16-21-13-15-29(19-23(21)17-26(25)31)18-22-11-4-5-12-24(22)27(32)28-14-7-6-10-20-8-2-1-3-9-20/h1-5,8-9,11-12,16-17,30-31H,6-7,10,13-15,18-19H2,(H,28,32)