3-[6-bromanyl-1-[3-(diethylamino)propyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione

Systemtic Name: 3-[6-bromanyl-1-[3-(diethylamino)propyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione Openeye Name: 3-[6-bromo-1-[3-(diethylamino)propyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione CAS Name: 3-[6-bromo-1-[3-(diethylamino)propyl]-3-indolyl]-4-(1H-indol-3-yl)pyrrole-2,5-dione IUPAC Name: 3-[6-bromo-1-[3-(diethylamino)propyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione Traditional Name: 3-[6-bromo-1-[3-(diethylamino)propyl]indol-3-yl]-4-(1H-indol-3-yl)-3-pyrroline-2,5-quinone Formula: C27H27BrN4O2 MolecularWeight: 519.43288

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCN1C=C(C2=C1C=C(C=C2)Br)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54

Isomeric SMILES

CCN(CC)CCCN1C=C(C2=C1C=C(C=C2)Br)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C27H27BrN4O2/c1-3-31(4-2)12-7-13-32-16-21(19-11-10-17(28)14-23(19)32)25-24(26(33)30-27(25)34)20-15-29-22-9-6-5-8-18(20)22/h5-6,8-11,14-16,29H,3-4,7,12-13H2,1-2H3,(H,30,33,34)