N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloranyl-2-oxidanylidene-6-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]pyrazin-1-yl]ethanamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloranyl-2-oxidanylidene-6-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]pyrazin-1-yl]ethanamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-2-oxo-6-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]pyrazin-1-yl]acetamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-2-oxo-6-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]-1-pyrazinyl]acetamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-2-oxo-6-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]pyrazin-1-yl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[5-chloro-2-keto-6-phenyl-3-[[3-(trifluoromethyl)benzyl]amino]pyrazin-1-yl]acetamide Formula: C28H24ClF3N6O2 MolecularWeight: 568.97737

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=C(C(=O)N2CC(=O)NCC3=CC=C(C=C3)C(=N)N)NCC4=CC(=CC=C4)C(F)(F)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=C(C(=O)N2CC(=O)NCC3=CC=C(C=C3)C(=N)N)NCC4=CC(=CC=C4)C(F)(F)F)Cl

InChI

InChI=1S/C28H24ClF3N6O2/c29-24-23(19-6-2-1-3-7-19)38(16-22(39)35-14-17-9-11-20(12-10-17)25(33)34)27(40)26(37-24)36-15-18-5-4-8-21(13-18)28(30,31)32/h1-13H,14-16H2,(H3,33,34)(H,35,39)(H,36,37)