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

Systemtic Name: 3-[4-[4-(4-methylpiperazin-1-yl)butyl]piperazin-1-yl]-2H-isoquinolin-1-one Openeye Name: 3-[4-[4-(4-methylpiperazin-1-yl)butyl]piperazin-1-yl]-2H-isoquinolin-1-one CAS Name: 3-[4-[4-(4-methyl-1-piperazinyl)butyl]-1-piperazinyl]-2H-isoquinolin-1-one IUPAC Name: 3-[4-[4-(4-methylpiperazin-1-yl)butyl]piperazin-1-yl]-2H-isoquinolin-1-one Traditional Name: 3-[4-[4-(4-methylpiperazino)butyl]piperazino]isocarbostyril Formula: C22H33N5O MolecularWeight: 383.53032

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCCN2CCN(CC2)C3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

CN1CCN(CC1)CCCCN2CCN(CC2)C3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C22H33N5O/c1-24-10-12-25(13-11-24)8-4-5-9-26-14-16-27(17-15-26)21-18-19-6-2-3-7-20(19)22(28)23-21/h2-3,6-7,18H,4-5,8-17H2,1H3,(H,23,28)