4-[4-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]-5-oxidanyl-2H-isoquinolin-1-one

Systemtic Name: 4-[4-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]-5-oxidanyl-2H-isoquinolin-1-one Openeye Name: 4-[4-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]-5-hydroxy-2H-isoquinolin-1-one CAS Name: 4-[4-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]-5-hydroxy-2H-isoquinolin-1-one IUPAC Name: 4-[4-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]-5-hydroxy-2H-isoquinolin-1-one Traditional Name: 4-[4-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]-5-hydroxy-isocarbostyril Formula: C24H28N2O2 MolecularWeight: 376.49132

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCCCC1)CC2=CC=C(C=C2)C3=CNC(=O)C4=C3C(=CC=C4)O

Isomeric SMILES

CN(CC1CCCCC1)CC2=CC=C(C=C2)C3=CNC(=O)C4=C3C(=CC=C4)O

InChI

InChI=1S/C24H28N2O2/c1-26(15-17-6-3-2-4-7-17)16-18-10-12-19(13-11-18)21-14-25-24(28)20-8-5-9-22(27)23(20)21/h5,8-14,17,27H,2-4,6-7,15-16H2,1H3,(H,25,28)