5-[(3-oxidanylidenecyclohepten-1-yl)amino]-1-pentyl-pyrazole-4-carbonitrile

Systemtic Name: 5-[(3-oxidanylidenecyclohepten-1-yl)amino]-1-pentyl-pyrazole-4-carbonitrile Openeye Name: 5-[(3-oxocyclohepten-1-yl)amino]-1-pentyl-pyrazole-4-carbonitrile CAS Name: 5-[(3-oxo-1-cycloheptenyl)amino]-1-pentyl-4-pyrazolecarbonitrile IUPAC Name: 5-[(3-oxocyclohepten-1-yl)amino]-1-pentylpyrazole-4-carbonitrile Traditional Name: 1-amyl-5-[(3-ketocyclohepten-1-yl)amino]pyrazole-4-carbonitrile Formula: C16H22N4O MolecularWeight: 286.37208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=C(C=N1)C#N)NC2=CC(=O)CCCC2

Isomeric SMILES

CCCCCN1C(=C(C=N1)C#N)NC2=CC(=O)CCCC2

InChI

InChI=1S/C16H22N4O/c1-2-3-6-9-20-16(13(11-17)12-18-20)19-14-7-4-5-8-15(21)10-14/h10,12,19H,2-9H2,1H3