3-butyl-1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-5-ethyl-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 3-butyl-1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-5-ethyl-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 3-butyl-1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-5-ethyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 3-butyl-1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-5-ethyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 3-butyl-1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-ethyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3-butyl-5-ethyl-4,6-diketo-1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C24H30N4O5 MolecularWeight: 454.5188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C2C(C(N1)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C(=O)N(C2=O)CC)C(=O)O

Isomeric SMILES

CCCCC1(C2C(C(N1)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C(=O)N(C2=O)CC)C(=O)O

InChI

InChI=1S/C24H30N4O5/c1-5-7-13-24(23(32)33)18-17(20(29)27(6-2)22(18)31)19(25-24)16-14(3)26(4)28(21(16)30)15-11-9-8-10-12-15/h8-12,17-19,25H,5-7,13H2,1-4H3,(H,32,33)