1-[(4-chlorophenyl)methyl]-5-[(3-oxidanylidenecyclohexen-1-yl)amino]pyrazole-4-carbonitrile

Systemtic Name: 1-[(4-chlorophenyl)methyl]-5-[(3-oxidanylidenecyclohexen-1-yl)amino]pyrazole-4-carbonitrile Openeye Name: 1-[(4-chlorophenyl)methyl]-5-[(3-oxocyclohexen-1-yl)amino]pyrazole-4-carbonitrile CAS Name: 1-[(4-chlorophenyl)methyl]-5-[(3-oxo-1-cyclohexenyl)amino]-4-pyrazolecarbonitrile IUPAC Name: 1-[(4-chlorophenyl)methyl]-5-[(3-oxocyclohexen-1-yl)amino]pyrazole-4-carbonitrile Traditional Name: 1-(4-chlorobenzyl)-5-[(3-ketocyclohexen-1-yl)amino]pyrazole-4-carbonitrile Formula: C17H15ClN4O MolecularWeight: 326.7802

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC(=O)C1)NC2=C(C=NN2CC3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

C1CC(=CC(=O)C1)NC2=C(C=NN2CC3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C17H15ClN4O/c18-14-6-4-12(5-7-14)11-22-17(13(9-19)10-20-22)21-15-2-1-3-16(23)8-15/h4-8,10,21H,1-3,11H2