(4-methylpiperazin-1-yl)-[1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone

Systemtic Name: (4-methylpiperazin-1-yl)-[1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone Openeye Name: (4-methylpiperazin-1-yl)-[1-(4-pyrimidin-2-ylpiperazin-1-yl)-4-isoquinolyl]methanone CAS Name: (4-methyl-1-piperazinyl)-[1-[4-(2-pyrimidinyl)-1-piperazinyl]-4-isoquinolinyl]methanone IUPAC Name: (4-methylpiperazin-1-yl)-[1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone Traditional Name: (4-methylpiperazino)-[1-[4-(2-pyrimidyl)piperazino]-4-isoquinolyl]methanone Formula: C23H27N7O MolecularWeight: 417.50678

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C23H27N7O/c1-27-9-11-29(12-10-27)22(31)20-17-26-21(19-6-3-2-5-18(19)20)28-13-15-30(16-14-28)23-24-7-4-8-25-23/h2-8,17H,9-16H2,1H3