2-[[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]methyl]isoindole-1,3-dione Openeye Name: 2-[[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]methyl]isoindoline-1,3-dione CAS Name: 2-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]methyl]isoindole-1,3-dione IUPAC Name: 2-[[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methyl]isoindole-1,3-dione Traditional Name: 2-[[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]methyl]isoindoline-1,3-quinone Formula: C20H18N4O3 MolecularWeight: 362.38192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H18N4O3/c1-13-17(20(27)24(22(13)2)14-8-4-3-5-9-14)21-12-23-18(25)15-10-6-7-11-16(15)19(23)26/h3-11,21H,12H2,1-2H3