4-[[3,5-bis(azanyl)pyrazol-4-ylidene]methyl]-3-phenyl-1,4-dihydropyrazol-5-one

Systemtic Name: 4-[[3,5-bis(azanyl)pyrazol-4-ylidene]methyl]-3-phenyl-1,4-dihydropyrazol-5-one Openeye Name: 4-[(3,5-diaminopyrazol-4-ylidene)methyl]-3-phenyl-1,4-dihydropyrazol-5-one CAS Name: 4-[(3,5-diamino-4-pyrazolylidene)methyl]-3-phenyl-1,4-dihydropyrazol-5-one IUPAC Name: 4-[(3,5-diaminopyrazol-4-ylidene)methyl]-3-phenyl-1,4-dihydropyrazol-5-one Traditional Name: 4-[(3,5-diaminopyrazol-4-ylidene)methyl]-5-phenyl-2-pyrazolin-3-one Formula: C13H12N6O MolecularWeight: 268.27398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=O)C2C=C3C(=NN=C3N)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=O)C2C=C3C(=NN=C3N)N

InChI

InChI=1S/C13H12N6O/c14-11-9(12(15)18-17-11)6-8-10(16-19-13(8)20)7-4-2-1-3-5-7/h1-6,8H,(H2,14,17)(H2,15,18)(H,19,20)