N-[5-chloranyl-4-[(4-chlorophenyl)-cyano-methyl]-2-methyl-phenyl]-4-(2-ethylbutanoylamino)benzamide

Systemtic Name: N-[5-chloranyl-4-[(4-chlorophenyl)-cyano-methyl]-2-methyl-phenyl]-4-(2-ethylbutanoylamino)benzamide Openeye Name: N-[5-chloro-4-[(4-chlorophenyl)-cyano-methyl]-2-methyl-phenyl]-4-(2-ethylbutanoylamino)benzamide CAS Name: N-[5-chloro-4-[(4-chlorophenyl)-cyanomethyl]-2-methylphenyl]-4-[(2-ethyl-1-oxobutyl)amino]benzamide IUPAC Name: N-[5-chloro-4-[(4-chlorophenyl)-cyanomethyl]-2-methylphenyl]-4-(2-ethylbutanoylamino)benzamide Traditional Name: N-[5-chloro-4-[(4-chlorophenyl)-cyano-methyl]-2-methyl-phenyl]-4-(2-ethylbutanoylamino)benzamide Formula: C28H27Cl2N3O2 MolecularWeight: 508.43888

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2C)C(C#N)C3=CC=C(C=C3)Cl)Cl

Isomeric SMILES

CCC(CC)C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2C)C(C#N)C3=CC=C(C=C3)Cl)Cl

InChI

InChI=1S/C28H27Cl2N3O2/c1-4-18(5-2)27(34)32-22-12-8-20(9-13-22)28(35)33-26-15-25(30)23(14-17(26)3)24(16-31)19-6-10-21(29)11-7-19/h6-15,18,24H,4-5H2,1-3H3,(H,32,34)(H,33,35)