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

Systemtic Name: (4-pyridin-2-ylpiperazin-1-yl)-[1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone Openeye Name: [4-(2-pyridyl)piperazin-1-yl]-[1-(4-pyrimidin-2-ylpiperazin-1-yl)-4-isoquinolyl]methanone CAS Name: [4-(2-pyridinyl)-1-piperazinyl]-[1-[4-(2-pyrimidinyl)-1-piperazinyl]-4-isoquinolinyl]methanone IUPAC Name: (4-pyridin-2-ylpiperazin-1-yl)-[1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone Traditional Name: [4-(2-pyridyl)piperazino]-[1-[4-(2-pyrimidyl)piperazino]-4-isoquinolyl]methanone Formula: C27H28N8O MolecularWeight: 480.56422

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CN=C(C4=CC=CC=C43)N5CCN(CC5)C6=NC=CC=N6

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CN=C(C4=CC=CC=C43)N5CCN(CC5)C6=NC=CC=N6

InChI

InChI=1S/C27H28N8O/c36-26(34-16-12-32(13-17-34)24-8-3-4-9-28-24)23-20-31-25(22-7-2-1-6-21(22)23)33-14-18-35(19-15-33)27-29-10-5-11-30-27/h1-11,20H,12-19H2