3-(3-azanyl-5-oxidanylidene-1,4-dihydropyrazol-4-yl)-2-cyano-3-phenyl-propanamide

Systemtic Name: 3-(3-azanyl-5-oxidanylidene-1,4-dihydropyrazol-4-yl)-2-cyano-3-phenyl-propanamide Openeye Name: 3-(3-amino-5-oxo-1,4-dihydropyrazol-4-yl)-2-cyano-3-phenyl-propanamide CAS Name: 3-(3-amino-5-oxo-1,4-dihydropyrazol-4-yl)-2-cyano-3-phenylpropanamide IUPAC Name: 3-(3-amino-5-oxo-1,4-dihydropyrazol-4-yl)-2-cyano-3-phenylpropanamide Traditional Name: 3-(3-amino-5-keto-2-pyrazolin-4-yl)-2-cyano-3-phenyl-propionamide Formula: C13H13N5O2 MolecularWeight: 271.27462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2C(=NNC2=O)N)C(C#N)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C(C2C(=NNC2=O)N)C(C#N)C(=O)N

InChI

InChI=1S/C13H13N5O2/c14-6-8(12(16)19)9(7-4-2-1-3-5-7)10-11(15)17-18-13(10)20/h1-5,8-10H,(H2,15,17)(H2,16,19)(H,18,20)