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

Systemtic Name: 2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-1-phenyl-2-piperidin-1-yl-cyclohexan-1-ol Openeye Name: 2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-1-phenyl-2-(1-piperidyl)cyclohexanol CAS Name: 2-[[4-(4-azepanyl)-2-pyrimidinyl]amino]-1-phenyl-2-(1-piperidinyl)-1-cyclohexanol IUPAC Name: 2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-1-phenyl-2-piperidin-1-ylcyclohexan-1-ol Traditional Name: 2-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-1-phenyl-2-piperidino-cyclohexanol Formula: C27H39N5O MolecularWeight: 449.63146

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2(CCCCC2(C3=CC=CC=C3)O)NC4=NC=CC(=N4)C5CCCNCC5

Isomeric SMILES

C1CCN(CC1)C2(CCCCC2(C3=CC=CC=C3)O)NC4=NC=CC(=N4)C5CCCNCC5

InChI

InChI=1S/C27H39N5O/c33-26(23-11-3-1-4-12-23)15-5-6-16-27(26,32-20-7-2-8-21-32)31-25-29-19-14-24(30-25)22-10-9-17-28-18-13-22/h1,3-4,11-12,14,19,22,28,33H,2,5-10,13,15-18,20-21H2,(H,29,30,31)