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

Systemtic Name: [4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone Openeye Name: [4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-pyrimidin-2-ylpiperazin-1-yl)-4-isoquinolyl]methanone CAS Name: [4-(2-fluorophenyl)-1-piperazinyl]-[1-[4-(2-pyrimidinyl)-1-piperazinyl]-4-isoquinolinyl]methanone IUPAC Name: [4-(2-fluorophenyl)piperazin-1-yl]-[1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone Traditional Name: [4-(2-fluorophenyl)piperazino]-[1-[4-(2-pyrimidyl)piperazino]-4-isoquinolyl]methanone Formula: C28H28FN7O MolecularWeight: 497.566623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=CN=C(C4=CC=CC=C43)N5CCN(CC5)C6=NC=CC=N6

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=CN=C(C4=CC=CC=C43)N5CCN(CC5)C6=NC=CC=N6

InChI

InChI=1S/C28H28FN7O/c29-24-8-3-4-9-25(24)33-12-16-35(17-13-33)27(37)23-20-32-26(22-7-2-1-6-21(22)23)34-14-18-36(19-15-34)28-30-10-5-11-31-28/h1-11,20H,12-19H2