N-[5-[2-(benzotriazol-1-yl)ethanoylamino]-2-methoxy-phenyl]-3-fluoranyl-benzamide

Systemtic Name: N-[5-[2-(benzotriazol-1-yl)ethanoylamino]-2-methoxy-phenyl]-3-fluoranyl-benzamide Openeye Name: N-[5-[[2-(benzotriazol-1-yl)acetyl]amino]-2-methoxy-phenyl]-3-fluoro-benzamide CAS Name: N-[5-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]-2-methoxyphenyl]-3-fluorobenzamide IUPAC Name: N-[5-[[2-(benzotriazol-1-yl)acetyl]amino]-2-methoxyphenyl]-3-fluorobenzamide Traditional Name: N-[5-[[2-(benzotriazol-1-yl)acetyl]amino]-2-methoxy-phenyl]-3-fluoro-benzamide Formula: C22H18FN5O3 MolecularWeight: 419.408423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=N2)NC(=O)C4=CC(=CC=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=N2)NC(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C22H18FN5O3/c1-31-20-10-9-16(12-18(20)25-22(30)14-5-4-6-15(23)11-14)24-21(29)13-28-19-8-3-2-7-17(19)26-27-28/h2-12H,13H2,1H3,(H,24,29)(H,25,30)