[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C17H20N4O3 MolecularWeight: 328.3657

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC=C(C=C2)N3C=NC=N3

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC=C(C=C2)N3C=NC=N3

InChI

InChI=1S/C17H20N4O3/c22-16(20-9-3-1-2-4-10-20)11-24-17(23)14-5-7-15(8-6-14)21-13-18-12-19-21/h5-8,12-13H,1-4,9-11H2