2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-2-piperidin-1-yl-cyclohexan-1-one

Systemtic Name: 2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-2-piperidin-1-yl-cyclohexan-1-one Openeye Name: 2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-2-(1-piperidyl)cyclohexanone CAS Name: 2-[[4-(4-azepanyl)-2-pyrimidinyl]amino]-2-(1-piperidinyl)-1-cyclohexanone IUPAC Name: 2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-2-piperidin-1-ylcyclohexan-1-one Traditional Name: 2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-2-piperidino-cyclohexanone Formula: C21H33N5O MolecularWeight: 371.51962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2(CCCCC2=O)NC3=NC=CC(=N3)C4CCCNCC4

Isomeric SMILES

C1CCN(CC1)C2(CCCCC2=O)NC3=NC=CC(=N3)C4CCCNCC4

InChI

InChI=1S/C21H33N5O/c27-19-8-2-3-11-21(19,26-15-4-1-5-16-26)25-20-23-14-10-18(24-20)17-7-6-12-22-13-9-17/h10,14,17,22H,1-9,11-13,15-16H2,(H,23,24,25)