3-(2-methylphenyl)-7-(3-oxidanylpiperidin-1-yl)-2H-isoquinolin-1-one

Systemtic Name: 3-(2-methylphenyl)-7-(3-oxidanylpiperidin-1-yl)-2H-isoquinolin-1-one Openeye Name: 7-(3-hydroxy-1-piperidyl)-3-(o-tolyl)-2H-isoquinolin-1-one CAS Name: 7-(3-hydroxy-1-piperidinyl)-3-(2-methylphenyl)-2H-isoquinolin-1-one IUPAC Name: 7-(3-hydroxypiperidin-1-yl)-3-(2-methylphenyl)-2H-isoquinolin-1-one Traditional Name: 7-(3-hydroxypiperidino)-3-(o-tolyl)isocarbostyril Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC3=C(C=C(C=C3)N4CCCC(C4)O)C(=O)N2

Isomeric SMILES

CC1=CC=CC=C1C2=CC3=C(C=C(C=C3)N4CCCC(C4)O)C(=O)N2

InChI

InChI=1S/C21H22N2O2/c1-14-5-2-3-7-18(14)20-11-15-8-9-16(12-19(15)21(25)22-20)23-10-4-6-17(24)13-23/h2-3,5,7-9,11-12,17,24H,4,6,10,13H2,1H3,(H,22,25)