7-(3-oxidanylpiperidin-1-yl)-3-(2-piperazin-1-ylphenyl)-2H-isoquinolin-1-one

Systemtic Name: 7-(3-oxidanylpiperidin-1-yl)-3-(2-piperazin-1-ylphenyl)-2H-isoquinolin-1-one Openeye Name: 7-(3-hydroxy-1-piperidyl)-3-(2-piperazin-1-ylphenyl)-2H-isoquinolin-1-one CAS Name: 7-(3-hydroxy-1-piperidinyl)-3-[2-(1-piperazinyl)phenyl]-2H-isoquinolin-1-one IUPAC Name: 7-(3-hydroxypiperidin-1-yl)-3-(2-piperazin-1-ylphenyl)-2H-isoquinolin-1-one Traditional Name: 7-(3-hydroxypiperidino)-3-(2-piperazinophenyl)isocarbostyril Formula: C24H28N4O2 MolecularWeight: 404.50472

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=CC3=C(C=C2)C=C(NC3=O)C4=CC=CC=C4N5CCNCC5)O

Isomeric SMILES

C1CC(CN(C1)C2=CC3=C(C=C2)C=C(NC3=O)C4=CC=CC=C4N5CCNCC5)O

InChI

InChI=1S/C24H28N4O2/c29-19-4-3-11-28(16-19)18-8-7-17-14-22(26-24(30)21(17)15-18)20-5-1-2-6-23(20)27-12-9-25-10-13-27/h1-2,5-8,14-15,19,25,29H,3-4,9-13,16H2,(H,26,30)