N-[3-[[(4-azanylcyclohexyl)-ethanoyl-amino]methyl]-4-chloranyl-phenyl]-4-cyano-benzamide

Systemtic Name: N-[3-[[(4-azanylcyclohexyl)-ethanoyl-amino]methyl]-4-chloranyl-phenyl]-4-cyano-benzamide Openeye Name: N-[3-[[acetyl-(4-aminocyclohexyl)amino]methyl]-4-chloro-phenyl]-4-cyano-benzamide CAS Name: N-[3-[[acetyl-(4-aminocyclohexyl)amino]methyl]-4-chlorophenyl]-4-cyanobenzamide IUPAC Name: N-[3-[[acetyl-(4-aminocyclohexyl)amino]methyl]-4-chlorophenyl]-4-cyanobenzamide Traditional Name: N-[3-[[acetyl-(4-aminocyclohexyl)amino]methyl]-4-chloro-phenyl]-4-cyano-benzamide Formula: C23H25ClN4O2 MolecularWeight: 424.9232

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)C#N)Cl)C3CCC(CC3)N

Isomeric SMILES

CC(=O)N(CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)C#N)Cl)C3CCC(CC3)N

InChI

InChI=1S/C23H25ClN4O2/c1-15(29)28(21-9-6-19(26)7-10-21)14-18-12-20(8-11-22(18)24)27-23(30)17-4-2-16(13-25)3-5-17/h2-5,8,11-12,19,21H,6-7,9-10,14,26H2,1H3,(H,27,30)