2-[(1-methyl-7-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-[(E)-4-(4-methylphenyl)but-3-enyl]benzamide

Systemtic Name: 2-[(1-methyl-7-oxidanyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-[(E)-4-(4-methylphenyl)but-3-enyl]benzamide Openeye Name: 2-[(7-hydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-[(E)-4-(p-tolyl)but-3-enyl]benzamide CAS Name: 2-[(7-hydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-[(E)-4-(4-methylphenyl)but-3-enyl]benzamide IUPAC Name: 2-[(7-hydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-[(E)-4-(4-methylphenyl)but-3-enyl]benzamide Traditional Name: 2-[(7-hydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-N-[(E)-4-(p-tolyl)but-3-enyl]benzamide Formula: C29H32N2O2 MolecularWeight: 440.57658

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(CCN1CC3=CC=CC=C3C(=O)NCCC=CC4=CC=C(C=C4)C)C=CC(=C2)O

Isomeric SMILES

CC1C2=C(CCN1CC3=CC=CC=C3C(=O)NCC/C=C/C4=CC=C(C=C4)C)C=CC(=C2)O

InChI

InChI=1S/C29H32N2O2/c1-21-10-12-23(13-11-21)7-5-6-17-30-29(33)27-9-4-3-8-25(27)20-31-18-16-24-14-15-26(32)19-28(24)22(31)2/h3-5,7-15,19,22,32H,6,16-18,20H2,1-2H3,(H,30,33)/b7-5+