(1-piperidin-1-ylisoquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Systemtic Name: (1-piperidin-1-ylisoquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Openeye Name: [1-(1-piperidyl)-4-isoquinolyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone CAS Name: [1-(1-piperidinyl)-4-isoquinolinyl]-[4-(2-pyrimidinyl)-1-piperazinyl]methanone IUPAC Name: (1-piperidin-1-ylisoquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone Traditional Name: (1-piperidino-4-isoquinolyl)-[4-(2-pyrimidyl)piperazino]methanone Formula: C23H26N6O MolecularWeight: 402.49214

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C23H26N6O/c30-22(28-13-15-29(16-14-28)23-24-9-6-10-25-23)20-17-26-21(27-11-4-1-5-12-27)19-8-3-2-7-18(19)20/h2-3,6-10,17H,1,4-5,11-16H2