1-[2-(2-azanylpyrimidin-5-yl)-7,8-dimethyl-quinolin-4-yl]carbonylpiperidine-4-carbonitrile

Systemtic Name: 1-[2-(2-azanylpyrimidin-5-yl)-7,8-dimethyl-quinolin-4-yl]carbonylpiperidine-4-carbonitrile Openeye Name: 1-[2-(2-aminopyrimidin-5-yl)-7,8-dimethyl-quinoline-4-carbonyl]piperidine-4-carbonitrile CAS Name: 1-[[2-(2-amino-5-pyrimidinyl)-7,8-dimethyl-4-quinolinyl]-oxomethyl]-4-piperidinecarbonitrile IUPAC Name: 1-[2-(2-aminopyrimidin-5-yl)-7,8-dimethylquinoline-4-carbonyl]piperidine-4-carbonitrile Traditional Name: 1-[2-(2-aminopyrimidin-5-yl)-7,8-dimethyl-quinoline-4-carbonyl]isonipecotonitrile Formula: C22H22N6O MolecularWeight: 386.44968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=N2)C3=CN=C(N=C3)N)C(=O)N4CCC(CC4)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=N2)C3=CN=C(N=C3)N)C(=O)N4CCC(CC4)C#N)C

InChI

InChI=1S/C22H22N6O/c1-13-3-4-17-18(21(29)28-7-5-15(10-23)6-8-28)9-19(27-20(17)14(13)2)16-11-25-22(24)26-12-16/h3-4,9,11-12,15H,5-8H2,1-2H3,(H2,24,25,26)