12-nitro-N-[2-[3-oxidanyl-3-phenyl-2-pyridin-2-yl-1-(pyridin-2-ylamino)propyl]phenyl]dodecanamide

Systemtic Name: 12-nitro-N-[2-[3-oxidanyl-3-phenyl-2-pyridin-2-yl-1-(pyridin-2-ylamino)propyl]phenyl]dodecanamide Openeye Name: N-[2-[3-hydroxy-3-phenyl-2-(2-pyridyl)-1-(2-pyridylamino)propyl]phenyl]-12-nitro-dodecanamide CAS Name: N-[2-[3-hydroxy-3-phenyl-2-(2-pyridinyl)-1-(2-pyridinylamino)propyl]phenyl]-12-nitrododecanamide IUPAC Name: N-[2-[3-hydroxy-3-phenyl-2-pyridin-2-yl-1-(pyridin-2-ylamino)propyl]phenyl]-12-nitrododecanamide Traditional Name: N-[2-[3-hydroxy-3-phenyl-2-(2-pyridyl)-1-(2-pyridylamino)propyl]phenyl]-12-nitro-lauramide Formula: C37H45N5O4 MolecularWeight: 623.7843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(C2=CC=CC=N2)C(C3=CC=CC=C3NC(=O)CCCCCCCCCCC[N+](=O)[O-])NC4=CC=CC=N4)O

Isomeric SMILES

C1=CC=C(C=C1)C(C(C2=CC=CC=N2)C(C3=CC=CC=C3NC(=O)CCCCCCCCCCC[N+](=O)[O-])NC4=CC=CC=N4)O

InChI

InChI=1S/C37H45N5O4/c43-34(25-11-6-4-2-1-3-5-7-18-28-42(45)46)40-31-22-13-12-21-30(31)36(41-33-24-15-17-27-39-33)35(32-23-14-16-26-38-32)37(44)29-19-9-8-10-20-29/h8-10,12-17,19-24,26-27,35-37,44H,1-7,11,18,25,28H2,(H,39,41)(H,40,43)