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

Systemtic Name: 5-[(3-methoxy-2-oxidanyl-phenyl)methylamino]-1H-pyrazole-4-carbonitrile Openeye Name: 5-[(2-hydroxy-3-methoxy-phenyl)methylamino]-1H-pyrazole-4-carbonitrile CAS Name: 5-[(2-hydroxy-3-methoxyphenyl)methylamino]-1H-pyrazole-4-carbonitrile IUPAC Name: 5-[(2-hydroxy-3-methoxyphenyl)methylamino]-1H-pyrazole-4-carbonitrile Traditional Name: 5-[(2-hydroxy-3-methoxy-benzyl)amino]-1H-pyrazole-4-carbonitrile Formula: C12H12N4O2 MolecularWeight: 244.24928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)CNC2=C(C=NN2)C#N

Isomeric SMILES

COC1=CC=CC(=C1O)CNC2=C(C=NN2)C#N

InChI

InChI=1S/C12H12N4O2/c1-18-10-4-2-3-8(11(10)17)6-14-12-9(5-13)7-15-16-12/h2-4,7,17H,6H2,1H3,(H2,14,15,16)