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

Systemtic Name: 3-[[4-(azepan-1-ylcarbonyl)phenyl]amino]-4-chloranyl-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione Openeye Name: 3-[4-(azepane-1-carbonyl)anilino]-4-chloro-1-(4-isopropylphenyl)pyrrole-2,5-dione CAS Name: 3-[4-[1-azepanyl(oxo)methyl]anilino]-4-chloro-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione IUPAC Name: 3-[4-(azepane-1-carbonyl)anilino]-4-chloro-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione Traditional Name: 3-[4-(azepane-1-carbonyl)anilino]-4-chloro-1-p-cumenyl-3-pyrroline-2,5-quinone Formula: C26H28ClN3O3 MolecularWeight: 465.97182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28ClN3O3/c1-17(2)18-9-13-21(14-10-18)30-25(32)22(27)23(26(30)33)28-20-11-7-19(8-12-20)24(31)29-15-5-3-4-6-16-29/h7-14,17,28H,3-6,15-16H2,1-2H3