3-(5-chloranyl-2-piperidin-1-yl-pyrimidin-4-yl)-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-propanenitrile

Systemtic Name: 3-(5-chloranyl-2-piperidin-1-yl-pyrimidin-4-yl)-2-(1-methylbenzimidazol-2-yl)-3-oxidanylidene-propanenitrile Openeye Name: 3-[5-chloro-2-(1-piperidyl)pyrimidin-4-yl]-2-(1-methylbenzimidazol-2-yl)-3-oxo-propanenitrile CAS Name: 3-[5-chloro-2-(1-piperidinyl)-4-pyrimidinyl]-2-(1-methyl-2-benzimidazolyl)-3-oxopropanenitrile IUPAC Name: 3-(5-chloro-2-piperidin-1-ylpyrimidin-4-yl)-2-(1-methylbenzimidazol-2-yl)-3-oxopropanenitrile Traditional Name: 3-(5-chloro-2-piperidino-pyrimidin-4-yl)-3-keto-2-(1-methylbenzimidazol-2-yl)propionitrile Formula: C20H19ClN6O MolecularWeight: 394.85746

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(C#N)C(=O)C3=NC(=NC=C3Cl)N4CCCCC4

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C(C#N)C(=O)C3=NC(=NC=C3Cl)N4CCCCC4

InChI

InChI=1S/C20H19ClN6O/c1-26-16-8-4-3-7-15(16)24-19(26)13(11-22)18(28)17-14(21)12-23-20(25-17)27-9-5-2-6-10-27/h3-4,7-8,12-13H,2,5-6,9-10H2,1H3