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

Systemtic Name: 3-[[4-(azepan-1-ylcarbonyl)phenyl]amino]-4-chloranyl-1-(2-ethylphenyl)pyrrole-2,5-dione Openeye Name: 3-[4-(azepane-1-carbonyl)anilino]-4-chloro-1-(2-ethylphenyl)pyrrole-2,5-dione CAS Name: 3-[4-[1-azepanyl(oxo)methyl]anilino]-4-chloro-1-(2-ethylphenyl)pyrrole-2,5-dione IUPAC Name: 3-[4-(azepane-1-carbonyl)anilino]-4-chloro-1-(2-ethylphenyl)pyrrole-2,5-dione Traditional Name: 3-[4-(azepane-1-carbonyl)anilino]-4-chloro-1-(2-ethylphenyl)-3-pyrroline-2,5-quinone Formula: C25H26ClN3O3 MolecularWeight: 451.94524

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)N4CCCCCC4

Isomeric SMILES

CCC1=CC=CC=C1N2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)N4CCCCCC4

InChI

InChI=1S/C25H26ClN3O3/c1-2-17-9-5-6-10-20(17)29-24(31)21(26)22(25(29)32)27-19-13-11-18(12-14-19)23(30)28-15-7-3-4-8-16-28/h5-6,9-14,27H,2-4,7-8,15-16H2,1H3