N-[4-chloranyl-3-[[(4,5-dicyano-2-methyl-phenyl)amino]carbamoylamino]phenyl]-2-(2,4-dimethylphenoxy)butanamide

Systemtic Name: N-[4-chloranyl-3-[[(4,5-dicyano-2-methyl-phenyl)amino]carbamoylamino]phenyl]-2-(2,4-dimethylphenoxy)butanamide Openeye Name: N-[4-chloro-3-[(4,5-dicyano-2-methyl-anilino)carbamoylamino]phenyl]-2-(2,4-dimethylphenoxy)butanamide CAS Name: N-[4-chloro-3-[[[(4,5-dicyano-2-methylphenyl)hydrazo]-oxomethyl]amino]phenyl]-2-(2,4-dimethylphenoxy)butanamide IUPAC Name: N-[4-chloro-3-[(4,5-dicyano-2-methylanilino)carbamoylamino]phenyl]-2-(2,4-dimethylphenoxy)butanamide Traditional Name: N-[4-chloro-3-[(4,5-dicyano-2-methyl-anilino)carbamoylamino]phenyl]-2-(2,4-dimethylphenoxy)butyramide Formula: C28H27ClN6O3 MolecularWeight: 531.00538

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)Cl)NC(=O)NNC2=C(C=C(C(=C2)C#N)C#N)C)OC3=C(C=C(C=C3)C)C

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)Cl)NC(=O)NNC2=C(C=C(C(=C2)C#N)C#N)C)OC3=C(C=C(C=C3)C)C

InChI

InChI=1S/C28H27ClN6O3/c1-5-25(38-26-9-6-16(2)10-18(26)4)27(36)32-21-7-8-22(29)24(13-21)33-28(37)35-34-23-12-20(15-31)19(14-30)11-17(23)3/h6-13,25,34H,5H2,1-4H3,(H,32,36)(H2,33,35,37)