N-[(5-acetamido-2-chloranyl-phenyl)methyl]-N-(4-azanylcyclohexyl)-4-cyano-benzamide

Systemtic Name: N-[(5-acetamido-2-chloranyl-phenyl)methyl]-N-(4-azanylcyclohexyl)-4-cyano-benzamide Openeye Name: N-[(5-acetamido-2-chloro-phenyl)methyl]-N-(4-aminocyclohexyl)-4-cyano-benzamide CAS Name: N-[(5-acetamido-2-chlorophenyl)methyl]-N-(4-aminocyclohexyl)-4-cyanobenzamide IUPAC Name: N-[(5-acetamido-2-chlorophenyl)methyl]-N-(4-aminocyclohexyl)-4-cyanobenzamide Traditional Name: N-(5-acetamido-2-chloro-benzyl)-N-(4-aminocyclohexyl)-4-cyano-benzamide Formula: C23H25ClN4O2 MolecularWeight: 424.9232

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)Cl)CN(C2CCC(CC2)N)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)Cl)CN(C2CCC(CC2)N)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H25ClN4O2/c1-15(29)27-20-8-11-22(24)18(12-20)14-28(21-9-6-19(26)7-10-21)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,27,29)