[2-methyl-3-[(7-oxidanylideneazepan-2-yl)methyl]-3,4-dihydropyrazol-5-yl] ethanoate

Systemtic Name: [2-methyl-3-[(7-oxidanylideneazepan-2-yl)methyl]-3,4-dihydropyrazol-5-yl] ethanoate Openeye Name: [2-methyl-3-[(7-oxoazepan-2-yl)methyl]-3,4-dihydropyrazol-5-yl] acetate CAS Name: acetic acid [2-methyl-3-[(7-oxo-2-azepanyl)methyl]-3,4-dihydropyrazol-5-yl] ester IUPAC Name: [2-methyl-3-[(7-oxoazepan-2-yl)methyl]-3,4-dihydropyrazol-5-yl] acetate Traditional Name: acetic acid [5-[(7-ketoazepan-2-yl)methyl]-1-methyl-2-pyrazolin-3-yl] ester Formula: C13H21N3O3 MolecularWeight: 267.32414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=NN(C(C1)CC2CCCCC(=O)N2)C

Isomeric SMILES

CC(=O)OC1=NN(C(C1)CC2CCCCC(=O)N2)C

InChI

InChI=1S/C13H21N3O3/c1-9(17)19-13-8-11(16(2)15-13)7-10-5-3-4-6-12(18)14-10/h10-11H,3-8H2,1-2H3,(H,14,18)