N-[3-[[(4-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]phenyl]-4-cyano-benzamide

Systemtic Name: N-[3-[[(4-azanylcyclohexyl)-cyclohexylcarbonyl-amino]methyl]phenyl]-4-cyano-benzamide Openeye Name: N-[3-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-cyano-benzamide CAS Name: N-[3-[[(4-aminocyclohexyl)-[cyclohexyl(oxo)methyl]amino]methyl]phenyl]-4-cyanobenzamide IUPAC Name: N-[3-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-cyanobenzamide Traditional Name: N-[3-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-cyano-benzamide Formula: C28H34N4O2 MolecularWeight: 458.59516

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N(CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)C#N)C4CCC(CC4)N

Isomeric SMILES

C1CCC(CC1)C(=O)N(CC2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)C#N)C4CCC(CC4)N

InChI

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