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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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