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

Systemtic Name: 5-methyl-3-[4-(4-piperidin-1-ylbutyl)piperazin-1-yl]-2H-isoquinolin-1-one Openeye Name: 5-methyl-3-[4-[4-(1-piperidyl)butyl]piperazin-1-yl]-2H-isoquinolin-1-one CAS Name: 5-methyl-3-[4-[4-(1-piperidinyl)butyl]-1-piperazinyl]-2H-isoquinolin-1-one IUPAC Name: 5-methyl-3-[4-(4-piperidin-1-ylbutyl)piperazin-1-yl]-2H-isoquinolin-1-one Traditional Name: 5-methyl-3-[4-(4-piperidinobutyl)piperazino]isocarbostyril Formula: C23H34N4O MolecularWeight: 382.54226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C=C(NC2=O)N3CCN(CC3)CCCCN4CCCCC4

Isomeric SMILES

CC1=CC=CC2=C1C=C(NC2=O)N3CCN(CC3)CCCCN4CCCCC4

InChI

InChI=1S/C23H34N4O/c1-19-8-7-9-20-21(19)18-22(24-23(20)28)27-16-14-26(15-17-27)13-6-5-12-25-10-3-2-4-11-25/h7-9,18H,2-6,10-17H2,1H3,(H,24,28)