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

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 4-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 4-(1,2,4-triazol-1-ylmethyl)benzoic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C19H24N4O3 MolecularWeight: 356.41886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C19H24N4O3/c1-15(18(24)22-10-4-2-3-5-11-22)26-19(25)17-8-6-16(7-9-17)12-23-14-20-13-21-23/h6-9,13-15H,2-5,10-12H2,1H3