3-[2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]quinolin-8-yl]benzenecarbonitrile

Systemtic Name: 3-[2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]quinolin-8-yl]benzenecarbonitrile Openeye Name: 3-[2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-8-quinolyl]benzonitrile CAS Name: 3-[2-[4-(4-methoxy-2-pyrimidinyl)-1-piperazinyl]-8-quinolinyl]benzonitrile IUPAC Name: 3-[2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]quinolin-8-yl]benzonitrile Traditional Name: 3-[2-[4-(4-methoxypyrimidin-2-yl)piperazino]-8-quinolyl]benzonitrile Formula: C25H22N6O MolecularWeight: 422.48178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1)N2CCN(CC2)C3=NC4=C(C=CC=C4C5=CC=CC(=C5)C#N)C=C3

Isomeric SMILES

COC1=NC(=NC=C1)N2CCN(CC2)C3=NC4=C(C=CC=C4C5=CC=CC(=C5)C#N)C=C3

InChI

InChI=1S/C25H22N6O/c1-32-23-10-11-27-25(29-23)31-14-12-30(13-15-31)22-9-8-19-5-3-7-21(24(19)28-22)20-6-2-4-18(16-20)17-26/h2-11,16H,12-15H2,1H3