5-bromanyl-N-[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[2-(4-isopropylphenyl)-6-methyl-benzotriazol-5-yl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[6-methyl-2-(4-propan-2-ylphenyl)-5-benzotriazolyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-(6-methyl-2-p-cumenyl-benzotriazol-5-yl)nicotinamide Formula: C22H20BrN5O MolecularWeight: 450.3311

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=O)C3=CC(=CN=C3)Br)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=O)C3=CC(=CN=C3)Br)C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C22H20BrN5O/c1-13(2)15-4-6-18(7-5-15)28-26-20-8-14(3)19(10-21(20)27-28)25-22(29)16-9-17(23)12-24-11-16/h4-13H,1-3H3,(H,25,29)