4-azanyl-2-[(1-methylpyrazol-4-yl)methyl]isoindole-1,3-dione

Systemtic Name: 4-azanyl-2-[(1-methylpyrazol-4-yl)methyl]isoindole-1,3-dione Openeye Name: 4-amino-2-[(1-methylpyrazol-4-yl)methyl]isoindoline-1,3-dione CAS Name: 4-amino-2-[(1-methyl-4-pyrazolyl)methyl]isoindole-1,3-dione IUPAC Name: 4-amino-2-[(1-methylpyrazol-4-yl)methyl]isoindole-1,3-dione Traditional Name: 4-amino-2-[(1-methylpyrazol-4-yl)methyl]isoindoline-1,3-quinone Formula: C13H12N4O2 MolecularWeight: 256.25998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N

Isomeric SMILES

CN1C=C(C=N1)CN2C(=O)C3=C(C2=O)C(=CC=C3)N

InChI

InChI=1S/C13H12N4O2/c1-16-6-8(5-15-16)7-17-12(18)9-3-2-4-10(14)11(9)13(17)19/h2-6H,7,14H2,1H3