methyl 1-[5-(4-cyclohexylphenyl)-1,2,4-triazin-3-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[5-(4-cyclohexylphenyl)-1,2,4-triazin-3-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[5-(4-cyclohexylphenyl)-1,2,4-triazin-3-yl]piperidine-4-carboxylate CAS Name: 1-[5-(4-cyclohexylphenyl)-1,2,4-triazin-3-yl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[5-(4-cyclohexylphenyl)-1,2,4-triazin-3-yl]piperidine-4-carboxylate Traditional Name: 1-[5-(4-cyclohexylphenyl)-1,2,4-triazin-3-yl]isonipecotic acid methyl ester Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=NC(=CN=N2)C3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=NC(=CN=N2)C3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C22H28N4O2/c1-28-21(27)19-11-13-26(14-12-19)22-24-20(15-23-25-22)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h7-10,15-16,19H,2-6,11-14H2,1H3