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

Systemtic Name: 3-[2-(4-methylpiperazin-1-yl)phenyl]-7-(3-oxidanylpiperidin-1-yl)-2H-isoquinolin-1-one Openeye Name: 7-(3-hydroxy-1-piperidyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]-2H-isoquinolin-1-one CAS Name: 7-(3-hydroxy-1-piperidinyl)-3-[2-(4-methyl-1-piperazinyl)phenyl]-2H-isoquinolin-1-one IUPAC Name: 7-(3-hydroxypiperidin-1-yl)-3-[2-(4-methylpiperazin-1-yl)phenyl]-2H-isoquinolin-1-one Traditional Name: 7-(3-hydroxypiperidino)-3-[2-(4-methylpiperazino)phenyl]isocarbostyril Formula: C25H30N4O2 MolecularWeight: 418.5313

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=CC=C2C3=CC4=C(C=C(C=C4)N5CCCC(C5)O)C(=O)N3

Isomeric SMILES

CN1CCN(CC1)C2=CC=CC=C2C3=CC4=C(C=C(C=C4)N5CCCC(C5)O)C(=O)N3

InChI

InChI=1S/C25H30N4O2/c1-27-11-13-28(14-12-27)24-7-3-2-6-21(24)23-15-18-8-9-19(16-22(18)25(31)26-23)29-10-4-5-20(30)17-29/h2-3,6-9,15-16,20,30H,4-5,10-14,17H2,1H3,(H,26,31)