3-(2-methyl-4-oxidanyl-phenyl)-7-(3-oxidanylpiperidin-1-yl)-2H-isoquinolin-1-one

Systemtic Name: 3-(2-methyl-4-oxidanyl-phenyl)-7-(3-oxidanylpiperidin-1-yl)-2H-isoquinolin-1-one Openeye Name: 3-(4-hydroxy-2-methyl-phenyl)-7-(3-hydroxy-1-piperidyl)-2H-isoquinolin-1-one CAS Name: 3-(4-hydroxy-2-methylphenyl)-7-(3-hydroxy-1-piperidinyl)-2H-isoquinolin-1-one IUPAC Name: 3-(4-hydroxy-2-methylphenyl)-7-(3-hydroxypiperidin-1-yl)-2H-isoquinolin-1-one Traditional Name: 3-(4-hydroxy-2-methyl-phenyl)-7-(3-hydroxypiperidino)isocarbostyril Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)O)C2=CC3=C(C=C(C=C3)N4CCCC(C4)O)C(=O)N2

Isomeric SMILES

CC1=C(C=CC(=C1)O)C2=CC3=C(C=C(C=C3)N4CCCC(C4)O)C(=O)N2

InChI

InChI=1S/C21H22N2O3/c1-13-9-16(24)6-7-18(13)20-10-14-4-5-15(11-19(14)21(26)22-20)23-8-2-3-17(25)12-23/h4-7,9-11,17,24-25H,2-3,8,12H2,1H3,(H,22,26)