1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(1H-indol-3-ylmethyl)-5-[(4-methoxycarbonylphenyl)methyl]-4,6-bis(oxidanylidene)-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)-5-[(4-methoxycarbonylphenyl)methyl]-4,6-bis(oxidanylidene)-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)-5-[(4-methoxycarbonylphenyl)methyl]-4,6-dioxo-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)-5-[(4-methoxycarbonylphenyl)methyl]-4,6-dioxo-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)-5-[(4-methoxycarbonylphenyl)methyl]-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 5-(4-carbomethoxybenzyl)-3-(1H-indol-3-ylmethyl)-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: C36H33N5O7 MolecularWeight: 647.67652

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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=C(C=C5)C(=O)OC)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=C(C=C5)C(=O)OC)C(N3)(CC6=CNC7=CC=CC=C76)C(=O)O

InChI

InChI=1S/C36H33N5O7/c1-20-27(32(43)41(39(20)2)24-9-5-4-6-10-24)30-28-29(33(44)40(31(28)42)19-21-13-15-22(16-14-21)34(45)48-3)36(38-30,35(46)47)17-23-18-37-26-12-8-7-11-25(23)26/h4-16,18,28-30,37-38H,17,19H2,1-3H3,(H,46,47)