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

Systemtic Name: 3-[[4-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-piperidyl]methyl]benzonitrile CAS Name: 3-[[4-[[4-(1-azepanyl)-2-pyrimidinyl]amino]-1-piperidinyl]methyl]benzonitrile IUPAC Name: 3-[[4-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[[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)NC3CCN(CC3)CC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCN(CC3)CC4=CC=CC(=C4)C#N

InChI

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