N-(3-azanylpropyl)-N-[[2-chloranyl-5-(3,3-dimethylbutanoylamino)phenyl]methyl]-4-cyano-benzamide

Systemtic Name: N-(3-azanylpropyl)-N-[[2-chloranyl-5-(3,3-dimethylbutanoylamino)phenyl]methyl]-4-cyano-benzamide Openeye Name: N-(3-aminopropyl)-N-[[2-chloro-5-(3,3-dimethylbutanoylamino)phenyl]methyl]-4-cyano-benzamide CAS Name: N-(3-aminopropyl)-N-[[2-chloro-5-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]methyl]-4-cyanobenzamide IUPAC Name: N-(3-aminopropyl)-N-[[2-chloro-5-(3,3-dimethylbutanoylamino)phenyl]methyl]-4-cyanobenzamide Traditional Name: N-(3-aminopropyl)-N-[2-chloro-5-(3,3-dimethylbutanoylamino)benzyl]-4-cyano-benzamide Formula: C24H29ClN4O2 MolecularWeight: 440.96566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=CC(=C(C=C1)Cl)CN(CCCN)C(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)(C)CC(=O)NC1=CC(=C(C=C1)Cl)CN(CCCN)C(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C24H29ClN4O2/c1-24(2,3)14-22(30)28-20-9-10-21(25)19(13-20)16-29(12-4-11-26)23(31)18-7-5-17(15-27)6-8-18/h5-10,13H,4,11-12,14,16,26H2,1-3H3,(H,28,30)