2,5-dibutyl-1,4-diphenyl-pyrrolo[3,4-c]pyrrole-3,6-dione

Systemtic Name: 2,5-dibutyl-1,4-diphenyl-pyrrolo[3,4-c]pyrrole-3,6-dione Openeye Name: 2,5-dibutyl-1,4-diphenyl-pyrrolo[3,4-c]pyrrole-3,6-dione CAS Name: 2,5-dibutyl-1,4-diphenylpyrrolo[3,4-c]pyrrole-3,6-dione IUPAC Name: 2,5-dibutyl-1,4-diphenylpyrrolo[3,4-c]pyrrole-3,6-dione Traditional Name: 2,5-dibutyl-1,4-diphenyl-pyrrolo[3,4-c]pyrrole-3,6-quinone Formula: C26H28N2O2 MolecularWeight: 400.51272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C2C(=C(N(C2=O)CCCC)C3=CC=CC=C3)C1=O)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=C2C(=C(N(C2=O)CCCC)C3=CC=CC=C3)C1=O)C4=CC=CC=C4

InChI

InChI=1S/C26H28N2O2/c1-3-5-17-27-23(19-13-9-7-10-14-19)21-22(25(27)29)24(20-15-11-8-12-16-20)28(26(21)30)18-6-4-2/h7-16H,3-6,17-18H2,1-2H3