N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-4-(4-ethanoylphenoxy)butanamide

Systemtic Name: N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-4-(4-ethanoylphenoxy)butanamide Openeye Name: 4-(4-acetylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]butanamide CAS Name: 4-(4-acetylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]butanamide IUPAC Name: 4-(4-acetylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]butanamide Traditional Name: 4-(4-acetylphenoxy)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]butyramide Formula: C20H19ClN4O3 MolecularWeight: 398.84286

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCCCC(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCCCC(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3

InChI

InChI=1S/C20H19ClN4O3/c1-14(26)15-4-7-17(8-5-15)28-10-2-3-20(27)24-18-11-16(21)6-9-19(18)25-13-22-12-23-25/h4-9,11-13H,2-3,10H2,1H3,(H,24,27)