5-butoxy-2-[(2-methylphenyl)methyl]-3,4-dihydroisoquinolin-1-one

Systemtic Name: 5-butoxy-2-[(2-methylphenyl)methyl]-3,4-dihydroisoquinolin-1-one Openeye Name: 5-butoxy-2-(o-tolylmethyl)-3,4-dihydroisoquinolin-1-one CAS Name: 5-butoxy-2-[(2-methylphenyl)methyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 5-butoxy-2-[(2-methylphenyl)methyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 5-butoxy-2-(2-methylbenzyl)-3,4-dihydroisocarbostyril Formula: C21H25NO2 MolecularWeight: 323.4287

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC2=C1CCN(C2=O)CC3=CC=CC=C3C

Isomeric SMILES

CCCCOC1=CC=CC2=C1CCN(C2=O)CC3=CC=CC=C3C

InChI

InChI=1S/C21H25NO2/c1-3-4-14-24-20-11-7-10-19-18(20)12-13-22(21(19)23)15-17-9-6-5-8-16(17)2/h5-11H,3-4,12-15H2,1-2H3