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

Systemtic Name: N-(4-azanylcyclohexyl)-N-[[2-chloranyl-5-(cyclohexylcarbonylamino)phenyl]methyl]-4-cyano-benzamide Openeye Name: N-(4-aminocyclohexyl)-N-[[2-chloro-5-(cyclohexanecarbonylamino)phenyl]methyl]-4-cyano-benzamide CAS Name: N-(4-aminocyclohexyl)-N-[[2-chloro-5-[[cyclohexyl(oxo)methyl]amino]phenyl]methyl]-4-cyanobenzamide IUPAC Name: N-(4-aminocyclohexyl)-N-[[2-chloro-5-(cyclohexanecarbonylamino)phenyl]methyl]-4-cyanobenzamide Traditional Name: N-(4-aminocyclohexyl)-N-[2-chloro-5-(cyclohexanecarbonylamino)benzyl]-4-cyano-benzamide Formula: C28H33ClN4O2 MolecularWeight: 493.04022

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC(=C(C=C2)Cl)CN(C3CCC(CC3)N)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC(=C(C=C2)Cl)CN(C3CCC(CC3)N)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C28H33ClN4O2/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/h6-9,12,15-16,20,23,25H,1-5,10-11,13-14,18,31H2,(H,32,34)