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

Systemtic Name: N-(4-azanylcyclohexyl)-N-[(5-benzamido-2-chloranyl-phenyl)methyl]-4-cyano-benzamide Openeye Name: N-(4-aminocyclohexyl)-N-[(5-benzamido-2-chloro-phenyl)methyl]-4-cyano-benzamide CAS Name: N-(4-aminocyclohexyl)-N-[(5-benzamido-2-chlorophenyl)methyl]-4-cyanobenzamide IUPAC Name: N-(4-aminocyclohexyl)-N-[(5-benzamido-2-chlorophenyl)methyl]-4-cyanobenzamide Traditional Name: N-(4-aminocyclohexyl)-N-(5-benzamido-2-chloro-benzyl)-4-cyano-benzamide Formula: C28H27ClN4O2 MolecularWeight: 486.99258

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)N(CC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)Cl)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CC(CCC1N)N(CC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)Cl)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C28H27ClN4O2/c29-26-15-12-24(32-27(34)20-4-2-1-3-5-20)16-22(26)18-33(25-13-10-23(31)11-14-25)28(35)21-8-6-19(17-30)7-9-21/h1-9,12,15-16,23,25H,10-11,13-14,18,31H2,(H,32,34)