1-[(2,4-dichlorophenyl)methyl]-5-[(3-oxidanylidenecyclohexen-1-yl)amino]pyrazole-4-carbonitrile

Systemtic Name: 1-[(2,4-dichlorophenyl)methyl]-5-[(3-oxidanylidenecyclohexen-1-yl)amino]pyrazole-4-carbonitrile Openeye Name: 1-[(2,4-dichlorophenyl)methyl]-5-[(3-oxocyclohexen-1-yl)amino]pyrazole-4-carbonitrile CAS Name: 1-[(2,4-dichlorophenyl)methyl]-5-[(3-oxo-1-cyclohexenyl)amino]-4-pyrazolecarbonitrile IUPAC Name: 1-[(2,4-dichlorophenyl)methyl]-5-[(3-oxocyclohexen-1-yl)amino]pyrazole-4-carbonitrile Traditional Name: 1-(2,4-dichlorobenzyl)-5-[(3-ketocyclohexen-1-yl)amino]pyrazole-4-carbonitrile Formula: C17H14Cl2N4O MolecularWeight: 361.22526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14Cl2N4O/c18-13-5-4-11(16(19)6-13)10-23-17(12(8-20)9-21-23)22-14-2-1-3-15(24)7-14/h4-7,9,22H,1-3,10H2