1-[3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]carbonylpiperidine-4-carbonitrile

Systemtic Name: 1-[3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]carbonylpiperidine-4-carbonitrile Openeye Name: 1-[3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoyl]piperidine-4-carbonitrile CAS Name: 1-[[3-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]phenyl]-oxomethyl]-4-piperidinecarbonitrile IUPAC Name: 1-[3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoyl]piperidine-4-carbonitrile Traditional Name: 1-[3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoyl]isonipecotonitrile Formula: C19H19N7O MolecularWeight: 361.40046

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)NC3=CC=CC(=C3)C(=O)N4CCC(CC4)C#N

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)NC3=CC=CC(=C3)C(=O)N4CCC(CC4)C#N

InChI

InChI=1S/C19H19N7O/c1-25-18-16(11-23-25)17(21-12-22-18)24-15-4-2-3-14(9-15)19(27)26-7-5-13(10-20)6-8-26/h2-4,9,11-13H,5-8H2,1H3,(H,21,22,24)