5-bromanyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-2-methoxy-3-methyl-benzamide

Systemtic Name: 5-bromanyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-2-methoxy-3-methyl-benzamide Openeye Name: 5-bromo-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-2-methoxy-3-methyl-benzamide CAS Name: 5-bromo-N-[2-(4-fluorophenyl)-5-benzotriazolyl]-2-methoxy-3-methylbenzamide IUPAC Name: 5-bromo-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-2-methoxy-3-methylbenzamide Traditional Name: 5-bromo-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-2-methoxy-3-methyl-benzamide Formula: C21H16BrFN4O2 MolecularWeight: 455.279743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)F)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)F)OC

InChI

InChI=1S/C21H16BrFN4O2/c1-12-9-13(22)10-17(20(12)29-2)21(28)24-15-5-8-18-19(11-15)26-27(25-18)16-6-3-14(23)4-7-16/h3-11H,1-2H3,(H,24,28)