2-(1-adamantyl)-N-[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]acetamide CAS Name: 2-(1-adamantyl)-N-[2-(4-fluorophenyl)-6-methyl-5-benzotriazolyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]acetamide Formula: C25H27FN4O MolecularWeight: 418.506483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=O)CC34CC5CC(C3)CC(C5)C4)C6=CC=C(C=C6)F

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=O)CC34CC5CC(C3)CC(C5)C4)C6=CC=C(C=C6)F

InChI

InChI=1S/C25H27FN4O/c1-15-6-22-23(29-30(28-22)20-4-2-19(26)3-5-20)10-21(15)27-24(31)14-25-11-16-7-17(12-25)9-18(8-16)13-25/h2-6,10,16-18H,7-9,11-14H2,1H3,(H,27,31)