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

Systemtic Name: 5-methyl-3-[4-(5-piperidin-1-ylpentyl)piperazin-1-yl]-2H-isoquinolin-1-one Openeye Name: 5-methyl-3-[4-[5-(1-piperidyl)pentyl]piperazin-1-yl]-2H-isoquinolin-1-one CAS Name: 5-methyl-3-[4-[5-(1-piperidinyl)pentyl]-1-piperazinyl]-2H-isoquinolin-1-one IUPAC Name: 5-methyl-3-[4-(5-piperidin-1-ylpentyl)piperazin-1-yl]-2H-isoquinolin-1-one Traditional Name: 5-methyl-3-[4-(5-piperidinopentyl)piperazino]isocarbostyril Formula: C24H36N4O MolecularWeight: 396.56884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C=C(NC2=O)N3CCN(CC3)CCCCCN4CCCCC4

Isomeric SMILES

CC1=CC=CC2=C1C=C(NC2=O)N3CCN(CC3)CCCCCN4CCCCC4

InChI

InChI=1S/C24H36N4O/c1-20-9-8-10-21-22(20)19-23(25-24(21)29)28-17-15-27(16-18-28)14-7-3-6-13-26-11-4-2-5-12-26/h8-10,19H,2-7,11-18H2,1H3,(H,25,29)