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

Systemtic Name: 3-[[3-(azepan-1-ylcarbonyl)phenyl]amino]-4-chloranyl-1-(2-methoxy-5-methyl-phenyl)pyrrole-2,5-dione Openeye Name: 3-[3-(azepane-1-carbonyl)anilino]-4-chloro-1-(2-methoxy-5-methyl-phenyl)pyrrole-2,5-dione CAS Name: 3-[3-[1-azepanyl(oxo)methyl]anilino]-4-chloro-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione IUPAC Name: 3-[3-(azepane-1-carbonyl)anilino]-4-chloro-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione Traditional Name: 3-[3-(azepane-1-carbonyl)anilino]-4-chloro-1-(2-methoxy-5-methyl-phenyl)-3-pyrroline-2,5-quinone Formula: C25H26ClN3O4 MolecularWeight: 467.94464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)N4CCCCCC4

InChI

InChI=1S/C25H26ClN3O4/c1-16-10-11-20(33-2)19(14-16)29-24(31)21(26)22(25(29)32)27-18-9-7-8-17(15-18)23(30)28-12-5-3-4-6-13-28/h7-11,14-15,27H,3-6,12-13H2,1-2H3