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

Systemtic Name: 5-methyl-3-[4-[4-(4-methylpiperazin-1-yl)butyl]piperazin-1-yl]-2H-isoquinolin-1-one Openeye Name: 5-methyl-3-[4-[4-(4-methylpiperazin-1-yl)butyl]piperazin-1-yl]-2H-isoquinolin-1-one CAS Name: 5-methyl-3-[4-[4-(4-methyl-1-piperazinyl)butyl]-1-piperazinyl]-2H-isoquinolin-1-one IUPAC Name: 5-methyl-3-[4-[4-(4-methylpiperazin-1-yl)butyl]piperazin-1-yl]-2H-isoquinolin-1-one Traditional Name: 5-methyl-3-[4-[4-(4-methylpiperazino)butyl]piperazino]isocarbostyril Formula: C23H35N5O MolecularWeight: 397.5569

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C=C(NC2=O)N3CCN(CC3)CCCCN4CCN(CC4)C

Isomeric SMILES

CC1=CC=CC2=C1C=C(NC2=O)N3CCN(CC3)CCCCN4CCN(CC4)C

InChI

InChI=1S/C23H35N5O/c1-19-6-5-7-20-21(19)18-22(24-23(20)29)28-16-14-27(15-17-28)9-4-3-8-26-12-10-25(2)11-13-26/h5-7,18H,3-4,8-17H2,1-2H3,(H,24,29)