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

Systemtic Name: 3-bromanyl-4-[7-butyl-2-(4-methoxyphenyl)-1H-indol-3-yl]pyrrole-2,5-dione Openeye Name: 3-bromo-4-[7-butyl-2-(4-methoxyphenyl)-1H-indol-3-yl]pyrrole-2,5-dione CAS Name: 3-bromo-4-[7-butyl-2-(4-methoxyphenyl)-1H-indol-3-yl]pyrrole-2,5-dione IUPAC Name: 3-bromo-4-[7-butyl-2-(4-methoxyphenyl)-1H-indol-3-yl]pyrrole-2,5-dione Traditional Name: 3-bromo-4-[7-butyl-2-(4-methoxyphenyl)-1H-indol-3-yl]-3-pyrroline-2,5-quinone Formula: C23H21BrN2O3 MolecularWeight: 453.32844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC2=C1NC(=C2C3=C(C(=O)NC3=O)Br)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCC1=CC=CC2=C1NC(=C2C3=C(C(=O)NC3=O)Br)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H21BrN2O3/c1-3-4-6-13-7-5-8-16-17(18-19(24)23(28)26-22(18)27)21(25-20(13)16)14-9-11-15(29-2)12-10-14/h5,7-12,25H,3-4,6H2,1-2H3,(H,26,27,28)