3-(3-bromophenyl)-4-[1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione

Systemtic Name: 3-(3-bromophenyl)-4-[1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione Openeye Name: 3-(3-bromophenyl)-4-[1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione CAS Name: 3-(3-bromophenyl)-4-[1-[3-(methylamino)propyl]-3-indolyl]pyrrole-2,5-dione IUPAC Name: 3-(3-bromophenyl)-4-[1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione Traditional Name: 3-(3-bromophenyl)-4-[1-[3-(methylamino)propyl]indol-3-yl]-3-pyrroline-2,5-quinone Formula: C22H20BrN3O2 MolecularWeight: 438.3171

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CC(=CC=C4)Br

Isomeric SMILES

CNCCCN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C22H20BrN3O2/c1-24-10-5-11-26-13-17(16-8-2-3-9-18(16)26)20-19(21(27)25-22(20)28)14-6-4-7-15(23)12-14/h2-4,6-9,12-13,24H,5,10-11H2,1H3,(H,25,27,28)