N-(2-azanylethyl)-2-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-cyclohexyl-piperidin-2-yl]ethanamide

Systemtic Name: N-(2-azanylethyl)-2-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-cyclohexyl-piperidin-2-yl]ethanamide Openeye Name: N-(2-aminoethyl)-2-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-cyclohexyl-2-piperidyl]acetamide CAS Name: N-(2-aminoethyl)-2-[3-[[4-(1-azepanyl)-2-pyrimidinyl]amino]-1-cyclohexyl-2-piperidinyl]acetamide IUPAC Name: N-(2-aminoethyl)-2-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-cyclohexylpiperidin-2-yl]acetamide Traditional Name: N-(2-aminoethyl)-2-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-cyclohexyl-2-piperidyl]acetamide Formula: C25H43N7O MolecularWeight: 457.65522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCCN(C3CC(=O)NCCN)C4CCCCC4

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCCN(C3CC(=O)NCCN)C4CCCCC4

InChI

InChI=1S/C25H43N7O/c26-13-15-27-24(33)19-22-21(11-8-18-32(22)20-9-4-3-5-10-20)29-25-28-14-12-23(30-25)31-16-6-1-2-7-17-31/h12,14,20-22H,1-11,13,15-19,26H2,(H,27,33)(H,28,29,30)