methyl 6-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)amino]ethoxymethyl]-4-[2-chloranyl-3-(trifluoromethyl)phenyl]-2-methyl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl 6-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)amino]ethoxymethyl]-4-[2-chloranyl-3-(trifluoromethyl)phenyl]-2-methyl-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 6-[2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethoxymethyl]-4-[2-chloro-3-(trifluoromethyl)phenyl]-2-methyl-1,4-dihydropyridine-3-carboxylate CAS Name: 6-[2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethoxymethyl]-4-[2-chloro-3-(trifluoromethyl)phenyl]-2-methyl-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-[2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethoxymethyl]-4-[2-chloro-3-(trifluoromethyl)phenyl]-2-methyl-1,4-dihydropyridine-3-carboxylate Traditional Name: 6-[2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethoxymethyl]-4-[2-chloro-3-(trifluoromethyl)phenyl]-2-methyl-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C20H22ClF3N6O3 MolecularWeight: 486.87529

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C=C(N1)COCCNC2=NNC(=N2)N)C3=C(C(=CC=C3)C(F)(F)F)Cl)C(=O)OC

Isomeric SMILES

CC1=C(C(C=C(N1)COCCNC2=NNC(=N2)N)C3=C(C(=CC=C3)C(F)(F)F)Cl)C(=O)OC

InChI

InChI=1S/C20H22ClF3N6O3/c1-10-15(17(31)32-2)13(12-4-3-5-14(16(12)21)20(22,23)24)8-11(27-10)9-33-7-6-26-19-28-18(25)29-30-19/h3-5,8,13,27H,6-7,9H2,1-2H3,(H4,25,26,28,29,30)