2-[2-(benzotriazol-1-yl)ethanoyl-(pyridin-3-ylmethyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[2-(benzotriazol-1-yl)ethanoyl-(pyridin-3-ylmethyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)ethanamide Openeye Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(3-pyridylmethyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide CAS Name: 2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(3-pyridinylmethyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide IUPAC Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide Traditional Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(3-pyridylmethyl)amino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide Formula: C28H29FN6O2 MolecularWeight: 500.567263

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(C2=CC=C(C=C2)F)N(CC3=CN=CC=C3)C(=O)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CCC(CC1)NC(=O)C(C2=CC=C(C=C2)F)N(CC3=CN=CC=C3)C(=O)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C28H29FN6O2/c29-22-14-12-21(13-15-22)27(28(37)31-23-8-2-1-3-9-23)34(18-20-7-6-16-30-17-20)26(36)19-35-25-11-5-4-10-24(25)32-33-35/h4-7,10-17,23,27H,1-3,8-9,18-19H2,(H,31,37)