N-[2-cyano-1-phenyl-3-[3-(pyrrolidin-3-ylcarbamoyl)cyclohexyl]propan-2-yl]benzamide

Systemtic Name: N-[2-cyano-1-phenyl-3-[3-(pyrrolidin-3-ylcarbamoyl)cyclohexyl]propan-2-yl]benzamide Openeye Name: N-[1-benzyl-1-cyano-2-[3-(pyrrolidin-3-ylcarbamoyl)cyclohexyl]ethyl]benzamide CAS Name: N-[2-cyano-1-[3-[oxo-(3-pyrrolidinylamino)methyl]cyclohexyl]-3-phenylpropan-2-yl]benzamide IUPAC Name: N-[2-cyano-1-phenyl-3-[3-(pyrrolidin-3-ylcarbamoyl)cyclohexyl]propan-2-yl]benzamide Traditional Name: N-[1-benzyl-1-cyano-2-[3-(pyrrolidin-3-ylcarbamoyl)cyclohexyl]ethyl]benzamide Formula: C28H34N4O2 MolecularWeight: 458.59516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)C(=O)NC2CCNC2)CC(CC3=CC=CC=C3)(C#N)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC(CC(C1)C(=O)NC2CCNC2)CC(CC3=CC=CC=C3)(C#N)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H34N4O2/c29-20-28(17-21-8-3-1-4-9-21,32-27(34)23-11-5-2-6-12-23)18-22-10-7-13-24(16-22)26(33)31-25-14-15-30-19-25/h1-6,8-9,11-12,22,24-25,30H,7,10,13-19H2,(H,31,33)(H,32,34)