3-[2-[(2-methylphenyl)amino]phenyl]-7-(4-oxidanylpiperidin-1-yl)-2H-isoquinolin-1-one

Systemtic Name: 3-[2-[(2-methylphenyl)amino]phenyl]-7-(4-oxidanylpiperidin-1-yl)-2H-isoquinolin-1-one Openeye Name: 7-(4-hydroxy-1-piperidyl)-3-[2-(2-methylanilino)phenyl]-2H-isoquinolin-1-one CAS Name: 7-(4-hydroxy-1-piperidinyl)-3-[2-(2-methylanilino)phenyl]-2H-isoquinolin-1-one IUPAC Name: 7-(4-hydroxypiperidin-1-yl)-3-[2-(2-methylanilino)phenyl]-2H-isoquinolin-1-one Traditional Name: 7-(4-hydroxypiperidino)-3-[2-(o-toluidino)phenyl]isocarbostyril Formula: C27H27N3O2 MolecularWeight: 425.52218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=CC=CC=C2C3=CC4=C(C=C(C=C4)N5CCC(CC5)O)C(=O)N3

Isomeric SMILES

CC1=CC=CC=C1NC2=CC=CC=C2C3=CC4=C(C=C(C=C4)N5CCC(CC5)O)C(=O)N3

InChI

InChI=1S/C27H27N3O2/c1-18-6-2-4-8-24(18)28-25-9-5-3-7-22(25)26-16-19-10-11-20(17-23(19)27(32)29-26)30-14-12-21(31)13-15-30/h2-11,16-17,21,28,31H,12-15H2,1H3,(H,29,32)