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

Systemtic Name: N-[3-[[(2-azanylcyclohexyl)-(phenylcarbonyl)amino]methyl]phenyl]-4-cyano-benzamide Openeye Name: N-[3-[[(2-aminocyclohexyl)-benzoyl-amino]methyl]phenyl]-4-cyano-benzamide CAS Name: N-[3-[[(2-aminocyclohexyl)-benzoylamino]methyl]phenyl]-4-cyanobenzamide IUPAC Name: N-[3-[[(2-aminocyclohexyl)-benzoylamino]methyl]phenyl]-4-cyanobenzamide Traditional Name: N-[3-[[(2-aminocyclohexyl)-benzoyl-amino]methyl]phenyl]-4-cyano-benzamide Formula: C28H28N4O2 MolecularWeight: 452.54752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28N4O2/c29-18-20-13-15-22(16-14-20)27(33)31-24-10-6-7-21(17-24)19-32(26-12-5-4-11-25(26)30)28(34)23-8-2-1-3-9-23/h1-3,6-10,13-17,25-26H,4-5,11-12,19,30H2,(H,31,33)