1-[2-[6-(4-methoxypiperidin-1-yl)-2-(phenylmethyl)pyridin-3-yl]ethynyl]cyclohexan-1-amine

Systemtic Name: 1-[2-[6-(4-methoxypiperidin-1-yl)-2-(phenylmethyl)pyridin-3-yl]ethynyl]cyclohexan-1-amine Openeye Name: 1-[2-[2-benzyl-6-(4-methoxy-1-piperidyl)-3-pyridyl]ethynyl]cyclohexanamine CAS Name: 1-[2-[6-(4-methoxy-1-piperidinyl)-2-(phenylmethyl)-3-pyridinyl]ethynyl]-1-cyclohexanamine IUPAC Name: 1-[2-[2-benzyl-6-(4-methoxypiperidin-1-yl)pyridin-3-yl]ethynyl]cyclohexan-1-amine Traditional Name: [1-[2-[2-benzyl-6-(4-methoxypiperidino)-3-pyridyl]ethynyl]cyclohexyl]amine Formula: C26H33N3O MolecularWeight: 403.55972

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCN(CC1)C2=NC(=C(C=C2)C#CC3(CCCCC3)N)CC4=CC=CC=C4

Isomeric SMILES

COC1CCN(CC1)C2=NC(=C(C=C2)C#CC3(CCCCC3)N)CC4=CC=CC=C4

InChI

InChI=1S/C26H33N3O/c1-30-23-13-18-29(19-14-23)25-11-10-22(12-17-26(27)15-6-3-7-16-26)24(28-25)20-21-8-4-2-5-9-21/h2,4-5,8-11,23H,3,6-7,13-16,18-20,27H2,1H3