methyl 2-[4-(cyclohexylcarbamoyl)-1,4-diazepan-1-yl]-4-(trifluoromethyl)pyrimidine-5-carboxylate

Systemtic Name: methyl 2-[4-(cyclohexylcarbamoyl)-1,4-diazepan-1-yl]-4-(trifluoromethyl)pyrimidine-5-carboxylate Openeye Name: methyl 2-[4-(cyclohexylcarbamoyl)-1,4-diazepan-1-yl]-4-(trifluoromethyl)pyrimidine-5-carboxylate CAS Name: 2-[4-[(cyclohexylamino)-oxomethyl]-1,4-diazepan-1-yl]-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-(cyclohexylcarbamoyl)-1,4-diazepan-1-yl]-4-(trifluoromethyl)pyrimidine-5-carboxylate Traditional Name: 2-[4-(cyclohexylcarbamoyl)-1,4-diazepan-1-yl]-4-(trifluoromethyl)pyrimidine-5-carboxylic acid methyl ester Formula: C19H26F3N5O3 MolecularWeight: 429.43665

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(N=C1C(F)(F)F)N2CCCN(CC2)C(=O)NC3CCCCC3

Isomeric SMILES

COC(=O)C1=CN=C(N=C1C(F)(F)F)N2CCCN(CC2)C(=O)NC3CCCCC3

InChI

InChI=1S/C19H26F3N5O3/c1-30-16(28)14-12-23-17(25-15(14)19(20,21)22)26-8-5-9-27(11-10-26)18(29)24-13-6-3-2-4-7-13/h12-13H,2-11H2,1H3,(H,24,29)