3-[[4-chloranyl-2,5-bis(oxidanylidene)-1-phenethyl-pyrrol-3-yl]amino]-N-(2-methylphenyl)benzamide

Systemtic Name: 3-[[4-chloranyl-2,5-bis(oxidanylidene)-1-phenethyl-pyrrol-3-yl]amino]-N-(2-methylphenyl)benzamide Openeye Name: 3-[(4-chloro-2,5-dioxo-1-phenethyl-pyrrol-3-yl)amino]-N-(o-tolyl)benzamide CAS Name: 3-[(4-chloro-2,5-dioxo-1-phenethyl-3-pyrrolyl)amino]-N-(2-methylphenyl)benzamide IUPAC Name: 3-[(4-chloro-2,5-dioxo-1-phenethylpyrrol-3-yl)amino]-N-(2-methylphenyl)benzamide Traditional Name: 3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]-N-(o-tolyl)benzamide Formula: C26H22ClN3O3 MolecularWeight: 459.92418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)NC3=C(C(=O)N(C3=O)CCC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)NC3=C(C(=O)N(C3=O)CCC4=CC=CC=C4)Cl

InChI

InChI=1S/C26H22ClN3O3/c1-17-8-5-6-13-21(17)29-24(31)19-11-7-12-20(16-19)28-23-22(27)25(32)30(26(23)33)15-14-18-9-3-2-4-10-18/h2-13,16,28H,14-15H2,1H3,(H,29,31)