[4-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]piperidin-1-yl]-cyclohexyl-methanone

Systemtic Name: [4-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]piperidin-1-yl]-cyclohexyl-methanone Openeye Name: [4-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-piperidyl]-1-piperidyl]-cyclohexyl-methanone CAS Name: [4-[3-[[4-(1-azepanyl)-2-pyrimidinyl]amino]-1-piperidinyl]-1-piperidinyl]-cyclohexylmethanone IUPAC Name: [4-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]piperidin-1-yl]-cyclohexylmethanone Traditional Name: [4-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidino]piperidino]-cyclohexyl-methanone Formula: C27H44N6O MolecularWeight: 468.67786

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCCN(C3)C4CCN(CC4)C(=O)C5CCCCC5

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCCN(C3)C4CCN(CC4)C(=O)C5CCCCC5

InChI

InChI=1S/C27H44N6O/c34-26(22-9-4-3-5-10-22)32-19-13-24(14-20-32)33-18-8-11-23(21-33)29-27-28-15-12-25(30-27)31-16-6-1-2-7-17-31/h12,15,22-24H,1-11,13-14,16-21H2,(H,28,29,30)