3-azanyl-2-octan-2-yl-1H-pyrazol-5-one

Systemtic Name: 3-azanyl-2-octan-2-yl-1H-pyrazol-5-one Openeye Name: 3-amino-2-(1-methylheptyl)-1H-pyrazol-5-one CAS Name: 3-amino-2-octan-2-yl-1H-pyrazol-5-one IUPAC Name: 3-amino-2-octan-2-yl-1H-pyrazol-5-one Traditional Name: 5-amino-1-(1-methylheptyl)-3-pyrazolin-3-one Formula: C11H21N3O MolecularWeight: 211.30394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)N1C(=CC(=O)N1)N

Isomeric SMILES

CCCCCCC(C)N1C(=CC(=O)N1)N

InChI

InChI=1S/C11H21N3O/c1-3-4-5-6-7-9(2)14-10(12)8-11(15)13-14/h8-9H,3-7,12H2,1-2H3,(H,13,15)