4-[(1H-imidazol-2-ylmethylamino)methyl]-N-[(2S)-1-(1-naphthalen-1-ylethylamino)-1-oxidanylidene-5-[[2-(trifluoromethyloxy)phenyl]methylamino]pentan-2-yl]benzamide

Systemtic Name: 4-[(1H-imidazol-2-ylmethylamino)methyl]-N-[(2S)-1-(1-naphthalen-1-ylethylamino)-1-oxidanylidene-5-[[2-(trifluoromethyloxy)phenyl]methylamino]pentan-2-yl]benzamide Openeye Name: 4-[(1H-imidazol-2-ylmethylamino)methyl]-N-[(1S)-1-[1-(1-naphthyl)ethylcarbamoyl]-4-[[2-(trifluoromethoxy)phenyl]methylamino]butyl]benzamide CAS Name: 4-[(1H-imidazol-2-ylmethylamino)methyl]-N-[(2S)-1-[1-(1-naphthalenyl)ethylamino]-1-oxo-5-[[2-(trifluoromethoxy)phenyl]methylamino]pentan-2-yl]benzamide IUPAC Name: 4-[(1H-imidazol-2-ylmethylamino)methyl]-N-[(2S)-1-(1-naphthalen-1-ylethylamino)-1-oxo-5-[[2-(trifluoromethoxy)phenyl]methylamino]pentan-2-yl]benzamide Traditional Name: 4-[(1H-imidazol-2-ylmethylamino)methyl]-N-[(1S)-1-[1-(1-naphthyl)ethylcarbamoyl]-4-[[2-(trifluoromethoxy)benzyl]amino]butyl]benzamide Formula: C37H39F3N6O3 MolecularWeight: 672.73917

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)C(CCCNCC3=CC=CC=C3OC(F)(F)F)NC(=O)C4=CC=C(C=C4)CNCC5=NC=CN5

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)NC(=O)[C@H](CCCNCC3=CC=CC=C3OC(F)(F)F)NC(=O)C4=CC=C(C=C4)CNCC5=NC=CN5

InChI

InChI=1S/C37H39F3N6O3/c1-25(30-12-6-10-27-8-2-4-11-31(27)30)45-36(48)32(13-7-19-41-23-29-9-3-5-14-33(29)49-37(38,39)40)46-35(47)28-17-15-26(16-18-28)22-42-24-34-43-20-21-44-34/h2-6,8-12,14-18,20-21,25,32,41-42H,7,13,19,22-24H2,1H3,(H,43,44)(H,45,48)(H,46,47)/t25?,32-/m0/s1