3-bromanyl-4-[5-butyl-2-(4-methoxyphenyl)-1H-indol-3-yl]pyrrole-2,5-dione

Systemtic Name: 3-bromanyl-4-[5-butyl-2-(4-methoxyphenyl)-1H-indol-3-yl]pyrrole-2,5-dione Openeye Name: 3-bromo-4-[5-butyl-2-(4-methoxyphenyl)-1H-indol-3-yl]pyrrole-2,5-dione CAS Name: 3-bromo-4-[5-butyl-2-(4-methoxyphenyl)-1H-indol-3-yl]pyrrole-2,5-dione IUPAC Name: 3-bromo-4-[5-butyl-2-(4-methoxyphenyl)-1H-indol-3-yl]pyrrole-2,5-dione Traditional Name: 3-bromo-4-[5-butyl-2-(4-methoxyphenyl)-1H-indol-3-yl]-3-pyrroline-2,5-quinone Formula: C23H21BrN2O3 MolecularWeight: 453.32844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)NC(=C2C3=C(C(=O)NC3=O)Br)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)NC(=C2C3=C(C(=O)NC3=O)Br)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H21BrN2O3/c1-3-4-5-13-6-11-17-16(12-13)18(19-20(24)23(28)26-22(19)27)21(25-17)14-7-9-15(29-2)10-8-14/h6-12,25H,3-5H2,1-2H3,(H,26,27,28)