3-[4-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]benzenecarbonitrile

Systemtic Name: 3-[4-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]benzenecarbonitrile Openeye Name: 3-[4-[(pyrimidin-2-ylamino)methyl]-1-piperidyl]benzonitrile CAS Name: 3-[4-[(2-pyrimidinylamino)methyl]-1-piperidinyl]benzonitrile IUPAC Name: 3-[4-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]benzonitrile Traditional Name: 3-[4-[(2-pyrimidylamino)methyl]piperidino]benzonitrile Formula: C17H19N5 MolecularWeight: 293.36626

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC2=NC=CC=N2)C3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCC1CNC2=NC=CC=N2)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H19N5/c18-12-15-3-1-4-16(11-15)22-9-5-14(6-10-22)13-21-17-19-7-2-8-20-17/h1-4,7-8,11,14H,5-6,9-10,13H2,(H,19,20,21)