2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-1-piperidin-1-yl-cyclohexane-1-carbonitrile

Systemtic Name: 2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-1-piperidin-1-yl-cyclohexane-1-carbonitrile Openeye Name: 2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-1-(1-piperidyl)cyclohexanecarbonitrile CAS Name: 2-[[4-(4-azepanyl)-2-pyrimidinyl]amino]-1-(1-piperidinyl)-1-cyclohexanecarbonitrile IUPAC Name: 2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-1-piperidin-1-ylcyclohexane-1-carbonitrile Traditional Name: 2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-1-piperidino-cyclohexanecarbonitrile Formula: C22H34N6 MolecularWeight: 382.54556

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2(CCCCC2NC3=NC=CC(=N3)C4CCCNCC4)C#N

Isomeric SMILES

C1CCN(CC1)C2(CCCCC2NC3=NC=CC(=N3)C4CCCNCC4)C#N

InChI

InChI=1S/C22H34N6/c23-17-22(28-15-4-1-5-16-28)11-3-2-8-20(22)27-21-25-14-10-19(26-21)18-7-6-12-24-13-9-18/h10,14,18,20,24H,1-9,11-13,15-16H2,(H,25,26,27)