2-[2-(benzotriazol-1-yl)ethanoyl-(4-fluorophenyl)amino]-N-cyclohexyl-2-(4-methoxy-3-oxidanyl-phenyl)ethanamide

Systemtic Name: 2-[2-(benzotriazol-1-yl)ethanoyl-(4-fluorophenyl)amino]-N-cyclohexyl-2-(4-methoxy-3-oxidanyl-phenyl)ethanamide Openeye Name: 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoro-anilino)-N-cyclohexyl-2-(3-hydroxy-4-methoxy-phenyl)acetamide CAS Name: 2-(N-[2-(1-benzotriazolyl)-1-oxoethyl]-4-fluoroanilino)-N-cyclohexyl-2-(3-hydroxy-4-methoxyphenyl)acetamide IUPAC Name: 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoroanilino)-N-cyclohexyl-2-(3-hydroxy-4-methoxyphenyl)acetamide Traditional Name: 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-fluoro-anilino)-N-cyclohexyl-2-(3-hydroxy-4-methoxy-phenyl)acetamide Formula: C29H30FN5O4 MolecularWeight: 531.578003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C(=O)NC2CCCCC2)N(C3=CC=C(C=C3)F)C(=O)CN4C5=CC=CC=C5N=N4)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(C(=O)NC2CCCCC2)N(C3=CC=C(C=C3)F)C(=O)CN4C5=CC=CC=C5N=N4)O

InChI

InChI=1S/C29H30FN5O4/c1-39-26-16-11-19(17-25(26)36)28(29(38)31-21-7-3-2-4-8-21)35(22-14-12-20(30)13-15-22)27(37)18-34-24-10-6-5-9-23(24)32-33-34/h5-6,9-17,21,28,36H,2-4,7-8,18H2,1H3,(H,31,38)