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

Systemtic Name: 5-[(3-oxidanylidenecyclohexen-1-yl)amino]-1-(phenylmethyl)pyrazole-4-carbonitrile Openeye Name: 1-benzyl-5-[(3-oxocyclohexen-1-yl)amino]pyrazole-4-carbonitrile CAS Name: 5-[(3-oxo-1-cyclohexenyl)amino]-1-(phenylmethyl)-4-pyrazolecarbonitrile IUPAC Name: 1-benzyl-5-[(3-oxocyclohexen-1-yl)amino]pyrazole-4-carbonitrile Traditional Name: 1-benzyl-5-[(3-ketocyclohexen-1-yl)amino]pyrazole-4-carbonitrile Formula: C17H16N4O MolecularWeight: 292.33514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O/c18-10-14-11-19-21(12-13-5-2-1-3-6-13)17(14)20-15-7-4-8-16(22)9-15/h1-3,5-6,9,11,20H,4,7-8,12H2