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

Systemtic Name: [4-(4-methoxyphenyl)piperazin-1-yl]-[1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone Openeye Name: [4-(4-methoxyphenyl)piperazin-1-yl]-[1-(4-pyrimidin-2-ylpiperazin-1-yl)-4-isoquinolyl]methanone CAS Name: [4-(4-methoxyphenyl)-1-piperazinyl]-[1-[4-(2-pyrimidinyl)-1-piperazinyl]-4-isoquinolinyl]methanone IUPAC Name: [4-(4-methoxyphenyl)piperazin-1-yl]-[1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone Traditional Name: [4-(4-methoxyphenyl)piperazino]-[1-[4-(2-pyrimidyl)piperazino]-4-isoquinolyl]methanone Formula: C29H31N7O2 MolecularWeight: 509.60214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CN=C(C4=CC=CC=C43)N5CCN(CC5)C6=NC=CC=N6

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CN=C(C4=CC=CC=C43)N5CCN(CC5)C6=NC=CC=N6

InChI

InChI=1S/C29H31N7O2/c1-38-23-9-7-22(8-10-23)33-13-17-35(18-14-33)28(37)26-21-32-27(25-6-3-2-5-24(25)26)34-15-19-36(20-16-34)29-30-11-4-12-31-29/h2-12,21H,13-20H2,1H3