3-butan-2-yl-1-methyl-pyrazole-4-carbaldehyde

Systemtic Name: 3-butan-2-yl-1-methyl-pyrazole-4-carbaldehyde Openeye Name: 1-methyl-3-sec-butyl-pyrazole-4-carbaldehyde CAS Name: 3-butan-2-yl-1-methyl-4-pyrazolecarboxaldehyde IUPAC Name: 3-butan-2-yl-1-methylpyrazole-4-carbaldehyde Traditional Name: 1-methyl-3-sec-butyl-pyrazole-4-carbaldehyde Formula: C9H14N2O MolecularWeight: 166.22026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=NN(C=C1C=O)C

Isomeric SMILES

CCC(C)C1=NN(C=C1C=O)C

InChI

InChI=1S/C9H14N2O/c1-4-7(2)9-8(6-12)5-11(3)10-9/h5-7H,4H2,1-3H3