3-[[3-(azepan-1-ylcarbonyl)phenyl]amino]-1-(4-bromophenyl)-4-chloranyl-pyrrole-2,5-dione

Systemtic Name: 3-[[3-(azepan-1-ylcarbonyl)phenyl]amino]-1-(4-bromophenyl)-4-chloranyl-pyrrole-2,5-dione Openeye Name: 3-[3-(azepane-1-carbonyl)anilino]-1-(4-bromophenyl)-4-chloro-pyrrole-2,5-dione CAS Name: 3-[3-[1-azepanyl(oxo)methyl]anilino]-1-(4-bromophenyl)-4-chloropyrrole-2,5-dione IUPAC Name: 3-[3-(azepane-1-carbonyl)anilino]-1-(4-bromophenyl)-4-chloropyrrole-2,5-dione Traditional Name: 3-[3-(azepane-1-carbonyl)anilino]-1-(4-bromophenyl)-4-chloro-3-pyrroline-2,5-quinone Formula: C23H21BrClN3O3 MolecularWeight: 502.78814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC(=CC=C2)NC3=C(C(=O)N(C3=O)C4=CC=C(C=C4)Br)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC(=CC=C2)NC3=C(C(=O)N(C3=O)C4=CC=C(C=C4)Br)Cl

InChI

InChI=1S/C23H21BrClN3O3/c24-16-8-10-18(11-9-16)28-22(30)19(25)20(23(28)31)26-17-7-5-6-15(14-17)21(29)27-12-3-1-2-4-13-27/h5-11,14,26H,1-4,12-13H2