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

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(1H-indol-3-ylmethyl)-4,6-bis(oxidanylidene)-5-(pyridin-2-ylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(1H-indol-3-ylmethyl)-4,6-dioxo-5-(2-pyridylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-(1H-indol-3-ylmethyl)-4,6-dioxo-5-(2-pyridinylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(1H-indol-3-ylmethyl)-4,6-dioxo-5-(pyridin-2-ylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 3-(1H-indol-3-ylmethyl)-4,6-diketo-1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-5-(2-pyridylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C33H30N6O5 MolecularWeight: 590.6285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3C4C(C(=O)N(C4=O)CC5=CC=CC=N5)C(N3)(CC6=CNC7=CC=CC=C76)C(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3C4C(C(=O)N(C4=O)CC5=CC=CC=N5)C(N3)(CC6=CNC7=CC=CC=C76)C(=O)O

InChI

InChI=1S/C33H30N6O5/c1-19-25(30(41)39(37(19)2)22-11-4-3-5-12-22)28-26-27(31(42)38(29(26)40)18-21-10-8-9-15-34-21)33(36-28,32(43)44)16-20-17-35-24-14-7-6-13-23(20)24/h3-15,17,26-28,35-36H,16,18H2,1-2H3,(H,43,44)