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

Systemtic Name: 3-[[3-(azepan-1-ylcarbonyl)phenyl]amino]-4-chloranyl-1-(2-methoxyphenyl)pyrrole-2,5-dione Openeye Name: 3-[3-(azepane-1-carbonyl)anilino]-4-chloro-1-(2-methoxyphenyl)pyrrole-2,5-dione CAS Name: 3-[3-[1-azepanyl(oxo)methyl]anilino]-4-chloro-1-(2-methoxyphenyl)pyrrole-2,5-dione IUPAC Name: 3-[3-(azepane-1-carbonyl)anilino]-4-chloro-1-(2-methoxyphenyl)pyrrole-2,5-dione Traditional Name: 3-[3-(azepane-1-carbonyl)anilino]-4-chloro-1-(2-methoxyphenyl)-3-pyrroline-2,5-quinone Formula: C24H24ClN3O4 MolecularWeight: 453.91806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)N4CCCCCC4

InChI

InChI=1S/C24H24ClN3O4/c1-32-19-12-5-4-11-18(19)28-23(30)20(25)21(24(28)31)26-17-10-8-9-16(15-17)22(29)27-13-6-2-3-7-14-27/h4-5,8-12,15,26H,2-3,6-7,13-14H2,1H3