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

Systemtic Name: 5-[(2-oxidanyl-4-phenylmethoxy-phenyl)methylamino]-1H-pyrazole-4-carbonitrile Openeye Name: 5-[(4-benzyloxy-2-hydroxy-phenyl)methylamino]-1H-pyrazole-4-carbonitrile CAS Name: 5-[(2-hydroxy-4-phenylmethoxyphenyl)methylamino]-1H-pyrazole-4-carbonitrile IUPAC Name: 5-[(2-hydroxy-4-phenylmethoxyphenyl)methylamino]-1H-pyrazole-4-carbonitrile Traditional Name: 5-[(4-benzoxy-2-hydroxy-benzyl)amino]-1H-pyrazole-4-carbonitrile Formula: C18H16N4O2 MolecularWeight: 320.34524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC(=C(C=C2)CNC3=C(C=NN3)C#N)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC(=C(C=C2)CNC3=C(C=NN3)C#N)O

InChI

InChI=1S/C18H16N4O2/c19-9-15-11-21-22-18(15)20-10-14-6-7-16(8-17(14)23)24-12-13-4-2-1-3-5-13/h1-8,11,23H,10,12H2,(H2,20,21,22)