N-[3-[[(2-azanylcyclohexyl)-(phenylcarbonyl)amino]methyl]-4-chloranyl-phenyl]-4-cyano-benzamide

Systemtic Name: N-[3-[[(2-azanylcyclohexyl)-(phenylcarbonyl)amino]methyl]-4-chloranyl-phenyl]-4-cyano-benzamide Openeye Name: N-[3-[[(2-aminocyclohexyl)-benzoyl-amino]methyl]-4-chloro-phenyl]-4-cyano-benzamide CAS Name: N-[3-[[(2-aminocyclohexyl)-benzoylamino]methyl]-4-chlorophenyl]-4-cyanobenzamide IUPAC Name: N-[3-[[(2-aminocyclohexyl)-benzoylamino]methyl]-4-chlorophenyl]-4-cyanobenzamide Traditional Name: N-[3-[[(2-aminocyclohexyl)-benzoyl-amino]methyl]-4-chloro-phenyl]-4-cyano-benzamide Formula: C28H27ClN4O2 MolecularWeight: 486.99258

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)N(CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)C#N)Cl)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(C(C1)N)N(CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)C#N)Cl)C(=O)C4=CC=CC=C4

InChI

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