methyl 2-[4-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-1,4-diazepan-1-yl]-4-(trifluoromethyl)pyrimidine-5-carboxylate

Systemtic Name: methyl 2-[4-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-1,4-diazepan-1-yl]-4-(trifluoromethyl)pyrimidine-5-carboxylate Openeye Name: methyl 2-[4-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-1,4-diazepan-1-yl]-4-(trifluoromethyl)pyrimidine-5-carboxylate CAS Name: 2-[4-[(5-tert-butyl-2-methyl-3-pyrazolyl)-oxomethyl]-1,4-diazepan-1-yl]-4-(trifluoromethyl)-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-(5-tert-butyl-2-methylpyrazole-3-carbonyl)-1,4-diazepan-1-yl]-4-(trifluoromethyl)pyrimidine-5-carboxylate Traditional Name: 2-[4-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-1,4-diazepan-1-yl]-4-(trifluoromethyl)pyrimidine-5-carboxylic acid methyl ester Formula: C21H27F3N6O3 MolecularWeight: 468.47269

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN(CC2)C3=NC=C(C(=N3)C(F)(F)F)C(=O)OC)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)N2CCCN(CC2)C3=NC=C(C(=N3)C(F)(F)F)C(=O)OC)C

InChI

InChI=1S/C21H27F3N6O3/c1-20(2,3)15-11-14(28(4)27-15)17(31)29-7-6-8-30(10-9-29)19-25-12-13(18(32)33-5)16(26-19)21(22,23)24/h11-12H,6-10H2,1-5H3