5-[(2-oxidanyl-3-prop-2-enyl-phenyl)methylamino]-1H-pyrazole-4-carbonitrile

Systemtic Name: 5-[(2-oxidanyl-3-prop-2-enyl-phenyl)methylamino]-1H-pyrazole-4-carbonitrile Openeye Name: 5-[(3-allyl-2-hydroxy-phenyl)methylamino]-1H-pyrazole-4-carbonitrile CAS Name: 5-[(2-hydroxy-3-prop-2-enylphenyl)methylamino]-1H-pyrazole-4-carbonitrile IUPAC Name: 5-[(2-hydroxy-3-prop-2-enylphenyl)methylamino]-1H-pyrazole-4-carbonitrile Traditional Name: 5-[(3-allyl-2-hydroxy-benzyl)amino]-1H-pyrazole-4-carbonitrile Formula: C14H14N4O MolecularWeight: 254.28716

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(C(=CC=C1)CNC2=C(C=NN2)C#N)O

Isomeric SMILES

C=CCC1=C(C(=CC=C1)CNC2=C(C=NN2)C#N)O

InChI

InChI=1S/C14H14N4O/c1-2-4-10-5-3-6-11(13(10)19)8-16-14-12(7-15)9-17-18-14/h2-3,5-6,9,19H,1,4,8H2,(H2,16,17,18)