5-methyl-3-[4-(4-morpholin-4-ylbutyl)piperazin-1-yl]-2H-isoquinolin-1-one

Systemtic Name: 5-methyl-3-[4-(4-morpholin-4-ylbutyl)piperazin-1-yl]-2H-isoquinolin-1-one Openeye Name: 5-methyl-3-[4-(4-morpholinobutyl)piperazin-1-yl]-2H-isoquinolin-1-one CAS Name: 5-methyl-3-[4-[4-(4-morpholinyl)butyl]-1-piperazinyl]-2H-isoquinolin-1-one IUPAC Name: 5-methyl-3-[4-(4-morpholin-4-ylbutyl)piperazin-1-yl]-2H-isoquinolin-1-one Traditional Name: 5-methyl-3-[4-(4-morpholinobutyl)piperazino]isocarbostyril Formula: C22H32N4O2 MolecularWeight: 384.51508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C=C(NC2=O)N3CCN(CC3)CCCCN4CCOCC4

Isomeric SMILES

CC1=CC=CC2=C1C=C(NC2=O)N3CCN(CC3)CCCCN4CCOCC4

InChI

InChI=1S/C22H32N4O2/c1-18-5-4-6-19-20(18)17-21(23-22(19)27)26-11-9-24(10-12-26)7-2-3-8-25-13-15-28-16-14-25/h4-6,17H,2-3,7-16H2,1H3,(H,23,27)