(2S)-2-[2-(benzotriazol-1-yl)ethanoyl-(3-fluorophenyl)amino]-N-cyclohexyl-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[2-(benzotriazol-1-yl)ethanoyl-(3-fluorophenyl)amino]-N-cyclohexyl-2-phenyl-ethanamide Openeye Name: (2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoro-anilino)-N-cyclohexyl-2-phenyl-acetamide CAS Name: (2S)-2-(N-[2-(1-benzotriazolyl)-1-oxoethyl]-3-fluoroanilino)-N-cyclohexyl-2-phenylacetamide IUPAC Name: (2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-N-cyclohexyl-2-phenylacetamide Traditional Name: (2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoro-anilino)-N-cyclohexyl-2-phenyl-acetamide Formula: C28H28FN5O2 MolecularWeight: 485.552623

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(C2=CC=CC=C2)N(C3=CC(=CC=C3)F)C(=O)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CCC(CC1)NC(=O)[C@H](C2=CC=CC=C2)N(C3=CC(=CC=C3)F)C(=O)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C28H28FN5O2/c29-21-12-9-15-23(18-21)34(26(35)19-33-25-17-8-7-16-24(25)31-32-33)27(20-10-3-1-4-11-20)28(36)30-22-13-5-2-6-14-22/h1,3-4,7-12,15-18,22,27H,2,5-6,13-14,19H2,(H,30,36)/t27-/m0/s1