3-[4-(4-butoxypyrimidin-2-yl)piperazin-1-yl]carbonylpyridine-4-carbonitrile

Systemtic Name: 3-[4-(4-butoxypyrimidin-2-yl)piperazin-1-yl]carbonylpyridine-4-carbonitrile Openeye Name: 3-[4-(4-butoxypyrimidin-2-yl)piperazine-1-carbonyl]pyridine-4-carbonitrile CAS Name: 3-[[4-(4-butoxy-2-pyrimidinyl)-1-piperazinyl]-oxomethyl]-4-pyridinecarbonitrile IUPAC Name: 3-[4-(4-butoxypyrimidin-2-yl)piperazine-1-carbonyl]pyridine-4-carbonitrile Traditional Name: 3-[4-(4-butoxypyrimidin-2-yl)piperazine-1-carbonyl]isonicotinonitrile Formula: C19H22N6O2 MolecularWeight: 366.41698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC(=NC=C1)N2CCN(CC2)C(=O)C3=C(C=CN=C3)C#N

Isomeric SMILES

CCCCOC1=NC(=NC=C1)N2CCN(CC2)C(=O)C3=C(C=CN=C3)C#N

InChI

InChI=1S/C19H22N6O2/c1-2-3-12-27-17-5-7-22-19(23-17)25-10-8-24(9-11-25)18(26)16-14-21-6-4-15(16)13-20/h4-7,14H,2-3,8-12H2,1H3