3-(azepan-1-yl)-4-chloranyl-1-(4-iodophenyl)pyrrole-2,5-dione

Systemtic Name: 3-(azepan-1-yl)-4-chloranyl-1-(4-iodophenyl)pyrrole-2,5-dione Openeye Name: 3-(azepan-1-yl)-4-chloro-1-(4-iodophenyl)pyrrole-2,5-dione CAS Name: 3-(1-azepanyl)-4-chloro-1-(4-iodophenyl)pyrrole-2,5-dione IUPAC Name: 3-(azepan-1-yl)-4-chloro-1-(4-iodophenyl)pyrrole-2,5-dione Traditional Name: 3-(azepan-1-yl)-4-chloro-1-(4-iodophenyl)-3-pyrroline-2,5-quinone Formula: C16H16ClIN2O2 MolecularWeight: 430.66791

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=O)N(C2=O)C3=CC=C(C=C3)I)Cl

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)N(C2=O)C3=CC=C(C=C3)I)Cl

InChI

InChI=1S/C16H16ClIN2O2/c17-13-14(19-9-3-1-2-4-10-19)16(22)20(15(13)21)12-7-5-11(18)6-8-12/h5-8H,1-4,9-10H2