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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NCCC4=CC=CC=C4

InChI

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