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

Systemtic Name: N-(4-butylphenyl)-3-[[4-chloranyl-2,5-bis(oxidanylidene)-1-phenethyl-pyrrol-3-yl]amino]benzamide Openeye Name: N-(4-butylphenyl)-3-[(4-chloro-2,5-dioxo-1-phenethyl-pyrrol-3-yl)amino]benzamide CAS Name: N-(4-butylphenyl)-3-[(4-chloro-2,5-dioxo-1-phenethyl-3-pyrrolyl)amino]benzamide IUPAC Name: N-(4-butylphenyl)-3-[(4-chloro-2,5-dioxo-1-phenethylpyrrol-3-yl)amino]benzamide Traditional Name: N-(4-butylphenyl)-3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]benzamide Formula: C29H28ClN3O3 MolecularWeight: 502.00392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC3=C(C(=O)N(C3=O)CCC4=CC=CC=C4)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC3=C(C(=O)N(C3=O)CCC4=CC=CC=C4)Cl

InChI

InChI=1S/C29H28ClN3O3/c1-2-3-8-21-13-15-23(16-14-21)32-27(34)22-11-7-12-24(19-22)31-26-25(30)28(35)33(29(26)36)18-17-20-9-5-4-6-10-20/h4-7,9-16,19,31H,2-3,8,17-18H2,1H3,(H,32,34)