3-bromanyl-4-[7-hexyl-2-(4-methoxyphenyl)-1H-indol-3-yl]pyrrole-2,5-dione

Systemtic Name: 3-bromanyl-4-[7-hexyl-2-(4-methoxyphenyl)-1H-indol-3-yl]pyrrole-2,5-dione Openeye Name: 3-bromo-4-[7-hexyl-2-(4-methoxyphenyl)-1H-indol-3-yl]pyrrole-2,5-dione CAS Name: 3-bromo-4-[7-hexyl-2-(4-methoxyphenyl)-1H-indol-3-yl]pyrrole-2,5-dione IUPAC Name: 3-bromo-4-[7-hexyl-2-(4-methoxyphenyl)-1H-indol-3-yl]pyrrole-2,5-dione Traditional Name: 3-bromo-4-[7-hexyl-2-(4-methoxyphenyl)-1H-indol-3-yl]-3-pyrroline-2,5-quinone Formula: C25H25BrN2O3 MolecularWeight: 481.3816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=CC2=C1NC(=C2C3=C(C(=O)NC3=O)Br)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCCCC1=CC=CC2=C1NC(=C2C3=C(C(=O)NC3=O)Br)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H25BrN2O3/c1-3-4-5-6-8-15-9-7-10-18-19(20-21(26)25(30)28-24(20)29)23(27-22(15)18)16-11-13-17(31-2)14-12-16/h7,9-14,27H,3-6,8H2,1-2H3,(H,28,29,30)