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

Systemtic Name: 1-[[2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-1-piperidin-1-yl-cyclohexyl]methyl]cyclohexane-1-carboxamide Openeye Name: 1-[[2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-1-(1-piperidyl)cyclohexyl]methyl]cyclohexanecarboxamide CAS Name: 1-[[2-[[4-(4-azepanyl)-2-pyrimidinyl]amino]-1-(1-piperidinyl)cyclohexyl]methyl]-1-cyclohexanecarboxamide IUPAC Name: 1-[[2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-1-piperidin-1-ylcyclohexyl]methyl]cyclohexane-1-carboxamide Traditional Name: 1-[[2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-1-piperidino-cyclohexyl]methyl]cyclohexanecarboxamide Formula: C29H48N6O MolecularWeight: 496.73102

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC2(CCCCC2NC3=NC=CC(=N3)C4CCCNCC4)N5CCCCC5)C(=O)N

Isomeric SMILES

C1CCC(CC1)(CC2(CCCCC2NC3=NC=CC(=N3)C4CCCNCC4)N5CCCCC5)C(=O)N

InChI

InChI=1S/C29H48N6O/c30-26(36)28(14-4-1-5-15-28)22-29(35-20-7-2-8-21-35)16-6-3-11-25(29)34-27-32-19-13-24(33-27)23-10-9-17-31-18-12-23/h13,19,23,25,31H,1-12,14-18,20-22H2,(H2,30,36)(H,32,33,34)