4-[2-(pyrimidin-2-ylamino)azepan-1-yl]benzenecarbonitrile

Systemtic Name: 4-[2-(pyrimidin-2-ylamino)azepan-1-yl]benzenecarbonitrile Openeye Name: 4-[2-(pyrimidin-2-ylamino)azepan-1-yl]benzonitrile CAS Name: 4-[2-(2-pyrimidinylamino)-1-azepanyl]benzonitrile IUPAC Name: 4-[2-(pyrimidin-2-ylamino)azepan-1-yl]benzonitrile Traditional Name: 4-[2-(2-pyrimidylamino)azepan-1-yl]benzonitrile Formula: C17H19N5 MolecularWeight: 293.36626

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(N(CC1)C2=CC=C(C=C2)C#N)NC3=NC=CC=N3

Isomeric SMILES

C1CCC(N(CC1)C2=CC=C(C=C2)C#N)NC3=NC=CC=N3

InChI

InChI=1S/C17H19N5/c18-13-14-6-8-15(9-7-14)22-12-3-1-2-5-16(22)21-17-19-10-4-11-20-17/h4,6-11,16H,1-3,5,12H2,(H,19,20,21)