1-(6-carbamimidoylnaphthalen-2-yl)-3-cyclohexyl-urea; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 1-(6-carbamimidoylnaphthalen-2-yl)-3-cyclohexyl-urea; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 1-(6-carbamimidoyl-2-naphthyl)-3-cyclohexyl-urea; 2,2,2-trifluoroacetic acid CAS Name: 1-(6-carbamimidoyl-2-naphthalenyl)-3-cyclohexylurea; 2,2,2-trifluoroacetic acid IUPAC Name: 1-(6-carbamimidoylnaphthalen-2-yl)-3-cyclohexylurea; 2,2,2-trifluoroacetic acid Traditional Name: 1-(6-amidino-2-naphthyl)-3-cyclohexyl-urea; 2,2,2-trifluoroacetic acid Formula: C20H23F3N4O3 MolecularWeight: 424.41683

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NC2=CC3=C(C=C2)C=C(C=C3)C(=N)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CCC(CC1)NC(=O)NC2=CC3=C(C=C2)C=C(C=C3)C(=N)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C18H22N4O.C2HF3O2/c19-17(20)14-7-6-13-11-16(9-8-12(13)10-14)22-18(23)21-15-4-2-1-3-5-15;3-2(4,5)1(6)7/h6-11,15H,1-5H2,(H3,19,20)(H2,21,22,23);(H,6,7)