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

Systemtic Name: 5-bromanyl-N-[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[2-(4-ethoxyphenyl)-6-methyl-benzotriazol-5-yl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[2-(4-ethoxyphenyl)-6-methyl-5-benzotriazolyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-(6-methyl-2-p-phenetyl-benzotriazol-5-yl)nicotinamide Formula: C21H18BrN5O2 MolecularWeight: 452.30392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=O)C4=CC(=CN=C4)Br)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=O)C4=CC(=CN=C4)Br)C

InChI

InChI=1S/C21H18BrN5O2/c1-3-29-17-6-4-16(5-7-17)27-25-19-8-13(2)18(10-20(19)26-27)24-21(28)14-9-15(22)12-23-11-14/h4-12H,3H2,1-2H3,(H,24,28)