2,2,2-tris(fluoranyl)ethanoyl 4-[carbamimidoyl(chloranyl)amino]isoquinoline-7-carboxylate

Systemtic Name: 2,2,2-tris(fluoranyl)ethanoyl 4-[carbamimidoyl(chloranyl)amino]isoquinoline-7-carboxylate Openeye Name: (2,2,2-trifluoroacetyl) 4-[carbamimidoyl(chloro)amino]isoquinoline-7-carboxylate CAS Name: 4-[carbamimidoyl(chloro)amino]-7-isoquinolinecarboxylic acid (2,2,2-trifluoro-1-oxoethyl) ester IUPAC Name: (2,2,2-trifluoroacetyl) 4-[carbamimidoyl(chloro)amino]isoquinoline-7-carboxylate Traditional Name: 4-[amidino(chloro)amino]isoquinoline-7-carboxylic acid (2,2,2-trifluoroacetyl) ester Formula: C13H8ClF3N4O3 MolecularWeight: 360.67583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=NC=C2C=C1C(=O)OC(=O)C(F)(F)F)N(C(=N)N)Cl

Isomeric SMILES

C1=CC2=C(C=NC=C2C=C1C(=O)OC(=O)C(F)(F)F)N(C(=N)N)Cl

InChI

InChI=1S/C13H8ClF3N4O3/c14-21(12(18)19)9-5-20-4-7-3-6(1-2-8(7)9)10(22)24-11(23)13(15,16)17/h1-5H,(H3,18,19)