4-azanyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)isoindole-1,3-dione

Systemtic Name: 4-azanyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)isoindole-1,3-dione Openeye Name: 4-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)isoindoline-1,3-dione CAS Name: 4-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)isoindole-1,3-dione IUPAC Name: 4-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)isoindole-1,3-dione Traditional Name: 4-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)isoindoline-1,3-quinone Formula: C13H12N4O2 MolecularWeight: 256.25998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)N2C(=O)C3=C(C2=O)C(=CC=C3)N

Isomeric SMILES

CC1=C(C(=NN1)C)N2C(=O)C3=C(C2=O)C(=CC=C3)N

InChI

InChI=1S/C13H12N4O2/c1-6-11(7(2)16-15-6)17-12(18)8-4-3-5-9(14)10(8)13(17)19/h3-5H,14H2,1-2H3,(H,15,16)