4-bromanyl-N-[2-[[(1S)-1-cyano-2-(4-nitrophenyl)ethyl]carbamoyl]cyclohexyl]benzamide

Systemtic Name: 4-bromanyl-N-[2-[[(1S)-1-cyano-2-(4-nitrophenyl)ethyl]carbamoyl]cyclohexyl]benzamide Openeye Name: 4-bromo-N-[2-[[(1S)-1-cyano-2-(4-nitrophenyl)ethyl]carbamoyl]cyclohexyl]benzamide CAS Name: 4-bromo-N-[2-[[[(1S)-1-cyano-2-(4-nitrophenyl)ethyl]amino]-oxomethyl]cyclohexyl]benzamide IUPAC Name: 4-bromo-N-[2-[[(1S)-1-cyano-2-(4-nitrophenyl)ethyl]carbamoyl]cyclohexyl]benzamide Traditional Name: 4-bromo-N-[2-[[(1S)-1-cyano-2-(4-nitrophenyl)ethyl]carbamoyl]cyclohexyl]benzamide Formula: C23H23BrN4O4 MolecularWeight: 499.35712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC(CC2=CC=C(C=C2)[N+](=O)[O-])C#N)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CCC(C(C1)C(=O)N[C@@H](CC2=CC=C(C=C2)[N+](=O)[O-])C#N)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C23H23BrN4O4/c24-17-9-7-16(8-10-17)22(29)27-21-4-2-1-3-20(21)23(30)26-18(14-25)13-15-5-11-19(12-6-15)28(31)32/h5-12,18,20-21H,1-4,13H2,(H,26,30)(H,27,29)/t18-,20?,21?/m0/s1