1-(3,5-dimethyl-1H-pyrazol-4-yl)azepane-2,7-dione

Systemtic Name: 1-(3,5-dimethyl-1H-pyrazol-4-yl)azepane-2,7-dione Openeye Name: 1-(3,5-dimethyl-1H-pyrazol-4-yl)azepane-2,7-dione CAS Name: 1-(3,5-dimethyl-1H-pyrazol-4-yl)azepane-2,7-dione IUPAC Name: 1-(3,5-dimethyl-1H-pyrazol-4-yl)azepane-2,7-dione Traditional Name: 1-(3,5-dimethyl-1H-pyrazol-4-yl)azepane-2,7-quinone Formula: C11H15N3O2 MolecularWeight: 221.2557

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)N2C(=O)CCCCC2=O

Isomeric SMILES

CC1=C(C(=NN1)C)N2C(=O)CCCCC2=O

InChI

InChI=1S/C11H15N3O2/c1-7-11(8(2)13-12-7)14-9(15)5-3-4-6-10(14)16/h3-6H2,1-2H3,(H,12,13)