[2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-1-piperidin-1-yl-cyclohexyl]-cyclohexyl-methanone

Systemtic Name: [2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-1-piperidin-1-yl-cyclohexyl]-cyclohexyl-methanone Openeye Name: [2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-1-(1-piperidyl)cyclohexyl]-cyclohexyl-methanone CAS Name: [2-[[4-(4-azepanyl)-2-pyrimidinyl]amino]-1-(1-piperidinyl)cyclohexyl]-cyclohexylmethanone IUPAC Name: [2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-1-piperidin-1-ylcyclohexyl]-cyclohexylmethanone Traditional Name: [2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-1-piperidino-cyclohexyl]-cyclohexyl-methanone Formula: C28H45N5O MolecularWeight: 467.6898

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)C2(CCCCC2NC3=NC=CC(=N3)C4CCCNCC4)N5CCCCC5

Isomeric SMILES

C1CCC(CC1)C(=O)C2(CCCCC2NC3=NC=CC(=N3)C4CCCNCC4)N5CCCCC5

InChI

InChI=1S/C28H45N5O/c34-26(23-10-3-1-4-11-23)28(33-20-7-2-8-21-33)16-6-5-13-25(28)32-27-30-19-15-24(31-27)22-12-9-17-29-18-14-22/h15,19,22-23,25,29H,1-14,16-18,20-21H2,(H,30,31,32)