2-[3-(3-chloranylpyridin-4-yl)-5-oxidanylidene-4-(4-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[3-(3-chloranylpyridin-4-yl)-5-oxidanylidene-4-(4-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[3-(3-chloro-4-pyridyl)-4-(4-isopropoxyphenyl)-5-oxo-1,2,4-triazol-1-yl]-N-isopropyl-acetamide CAS Name: 2-[3-(3-chloro-4-pyridinyl)-5-oxo-4-(4-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide IUPAC Name: 2-[3-(3-chloropyridin-4-yl)-5-oxo-4-(4-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[3-(3-chloro-4-pyridyl)-4-(4-isopropoxyphenyl)-5-keto-1,2,4-triazol-1-yl]-N-isopropyl-acetamide Formula: C21H24ClN5O3 MolecularWeight: 429.89996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CN1C(=O)N(C(=N1)C2=C(C=NC=C2)Cl)C3=CC=C(C=C3)OC(C)C

Isomeric SMILES

CC(C)NC(=O)CN1C(=O)N(C(=N1)C2=C(C=NC=C2)Cl)C3=CC=C(C=C3)OC(C)C

InChI

InChI=1S/C21H24ClN5O3/c1-13(2)24-19(28)12-26-21(29)27(15-5-7-16(8-6-15)30-14(3)4)20(25-26)17-9-10-23-11-18(17)22/h5-11,13-14H,12H2,1-4H3,(H,24,28)