5-bromanyl-N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]furan-2-carboxamide Openeye Name: 5-bromo-N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]furan-2-carboxamide CAS Name: 5-bromo-N-[2-(4-butylphenyl)-6-methyl-5-benzotriazolyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[2-(4-butylphenyl)-6-methylbenzotriazol-5-yl]furan-2-carboxamide Traditional Name: 5-bromo-N-[2-(4-butylphenyl)-6-methyl-benzotriazol-5-yl]-2-furamide Formula: C22H21BrN4O2 MolecularWeight: 453.33174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=O)C4=CC=C(O4)Br)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=O)C4=CC=C(O4)Br)C

InChI

InChI=1S/C22H21BrN4O2/c1-3-4-5-15-6-8-16(9-7-15)27-25-18-12-14(2)17(13-19(18)26-27)24-22(28)20-10-11-21(23)29-20/h6-13H,3-5H2,1-2H3,(H,24,28)