4-(cyclohexylamino)-3-(4-methylphenyl)-4-oxidanyl-isoquinolin-1-one

Systemtic Name: 4-(cyclohexylamino)-3-(4-methylphenyl)-4-oxidanyl-isoquinolin-1-one Openeye Name: 4-(cyclohexylamino)-4-hydroxy-3-(p-tolyl)isoquinolin-1-one CAS Name: 4-(cyclohexylamino)-4-hydroxy-3-(4-methylphenyl)-1-isoquinolinone IUPAC Name: 4-(cyclohexylamino)-4-hydroxy-3-(4-methylphenyl)isoquinolin-1-one Traditional Name: 4-(cyclohexylamino)-4-hydroxy-3-(p-tolyl)isocarbostyril Formula: C22H24N2O2 MolecularWeight: 348.43816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=O)C3=CC=CC=C3C2(NC4CCCCC4)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=O)C3=CC=CC=C3C2(NC4CCCCC4)O

InChI

InChI=1S/C22H24N2O2/c1-15-11-13-16(14-12-15)20-22(26,24-17-7-3-2-4-8-17)19-10-6-5-9-18(19)21(25)23-20/h5-6,9-14,17,24,26H,2-4,7-8H2,1H3