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

Systemtic Name: 1-[2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-1-piperidin-1-yl-cyclohexyl]cyclohexane-1-carboxamide Openeye Name: 1-[2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-1-(1-piperidyl)cyclohexyl]cyclohexanecarboxamide CAS Name: 1-[2-[[4-(4-azepanyl)-2-pyrimidinyl]amino]-1-(1-piperidinyl)cyclohexyl]-1-cyclohexanecarboxamide IUPAC Name: 1-[2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-1-piperidin-1-ylcyclohexyl]cyclohexane-1-carboxamide Traditional Name: 1-[2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-1-piperidino-cyclohexyl]cyclohexanecarboxamide Formula: C28H46N6O MolecularWeight: 482.70444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H46N6O/c29-25(35)27(14-4-1-5-15-27)28(34-20-7-2-8-21-34)16-6-3-11-24(28)33-26-31-19-13-23(32-26)22-10-9-17-30-18-12-22/h13,19,22,24,30H,1-12,14-18,20-21H2,(H2,29,35)(H,31,32,33)