N-[2-[[(4-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]phenyl]-4-cyano-benzamide

Systemtic Name: N-[2-[[(4-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]phenyl]-4-cyano-benzamide Openeye Name: N-[2-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-cyano-benzamide CAS Name: N-[2-[[(4-aminocyclohexyl)-[cyclohexyl(oxo)methyl]amino]methyl]phenyl]-4-cyanobenzamide IUPAC Name: N-[2-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-cyanobenzamide Traditional Name: N-[2-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-cyano-benzamide Formula: C28H34N4O2 MolecularWeight: 458.59516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N(CC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)C#N)C4CCC(CC4)N

Isomeric SMILES

C1CCC(CC1)C(=O)N(CC2=CC=CC=C2NC(=O)C3=CC=C(C=C3)C#N)C4CCC(CC4)N

InChI

InChI=1S/C28H34N4O2/c29-18-20-10-12-21(13-11-20)27(33)31-26-9-5-4-8-23(26)19-32(25-16-14-24(30)15-17-25)28(34)22-6-2-1-3-7-22/h4-5,8-13,22,24-25H,1-3,6-7,14-17,19,30H2,(H,31,33)