[3-(3-chloranyl-4-methoxy-phenyl)-5-pyridin-4-yl-1,2,4-triazol-1-yl] butanoate

Systemtic Name: [3-(3-chloranyl-4-methoxy-phenyl)-5-pyridin-4-yl-1,2,4-triazol-1-yl] butanoate Openeye Name: [3-(3-chloro-4-methoxy-phenyl)-5-(4-pyridyl)-1,2,4-triazol-1-yl] butanoate CAS Name: butanoic acid [3-(3-chloro-4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-1-yl] ester IUPAC Name: [3-(3-chloro-4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-1-yl] butanoate Traditional Name: butyric acid [3-(3-chloro-4-methoxy-phenyl)-5-(4-pyridyl)-1,2,4-triazol-1-yl] ester Formula: C18H17ClN4O3 MolecularWeight: 372.80558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)ON1C(=NC(=N1)C2=CC(=C(C=C2)OC)Cl)C3=CC=NC=C3

Isomeric SMILES

CCCC(=O)ON1C(=NC(=N1)C2=CC(=C(C=C2)OC)Cl)C3=CC=NC=C3

InChI

InChI=1S/C18H17ClN4O3/c1-3-4-16(24)26-23-18(12-7-9-20-10-8-12)21-17(22-23)13-5-6-15(25-2)14(19)11-13/h5-11H,3-4H2,1-2H3