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

Systemtic Name: 3-[[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-piperidyl]methyl]benzonitrile CAS Name: 3-[[3-[[4-(1-azepanyl)-2-pyrimidinyl]amino]-1-piperidinyl]methyl]benzonitrile IUPAC Name: 3-[[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methyl]benzonitrile Traditional Name: 3-[[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidino]methyl]benzonitrile Formula: C23H30N6 MolecularWeight: 390.5245

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCCN(C3)CC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCCN(C3)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C23H30N6/c24-16-19-7-5-8-20(15-19)17-28-12-6-9-21(18-28)26-23-25-11-10-22(27-23)29-13-3-1-2-4-14-29/h5,7-8,10-11,15,21H,1-4,6,9,12-14,17-18H2,(H,25,26,27)