4-[1-[[2-[(4-carbamimidoylphenyl)carbamoylamino]phenyl]amino]ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

Systemtic Name: 4-[1-[[2-[(4-carbamimidoylphenyl)carbamoylamino]phenyl]amino]ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide Openeye Name: 4-[1-[2-[(4-carbamimidoylphenyl)carbamoylamino]anilino]ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide CAS Name: 4-[1-[2-[[(4-carbamimidoylanilino)-oxomethyl]amino]anilino]ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide IUPAC Name: 4-[1-[2-[(4-carbamimidoylphenyl)carbamoylamino]anilino]ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide Traditional Name: 4-[1-[2-[(4-amidinophenyl)carbamoylamino]anilino]ethyl]-N-[3-(trifluoromethyl)benzyl]benzamide Formula: C31H29F3N6O2 MolecularWeight: 574.59617

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(=O)NCC2=CC(=CC=C2)C(F)(F)F)NC3=CC=CC=C3NC(=O)NC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CC(C1=CC=C(C=C1)C(=O)NCC2=CC(=CC=C2)C(F)(F)F)NC3=CC=CC=C3NC(=O)NC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C31H29F3N6O2/c1-19(21-9-11-23(12-10-21)29(41)37-18-20-5-4-6-24(17-20)31(32,33)34)38-26-7-2-3-8-27(26)40-30(42)39-25-15-13-22(14-16-25)28(35)36/h2-17,19,38H,18H2,1H3,(H3,35,36)(H,37,41)(H2,39,40,42)