1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-N-butyl-5-methyl-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-N-butyl-5-methyl-1,2,3-triazole-4-carboxamide Openeye Name: 1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-N-butyl-5-methyl-triazole-4-carboxamide CAS Name: 1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-N-butyl-5-methyl-4-triazolecarboxamide IUPAC Name: 1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-N-butyl-5-methyltriazole-4-carboxamide Traditional Name: 1-[3-(4-bromophenyl)anthranil-5-yl]-N-butyl-5-methyl-triazole-4-carboxamide Formula: C21H20BrN5O2 MolecularWeight: 454.3198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(N(N=N1)C2=CC3=C(ON=C3C=C2)C4=CC=C(C=C4)Br)C

Isomeric SMILES

CCCCNC(=O)C1=C(N(N=N1)C2=CC3=C(ON=C3C=C2)C4=CC=C(C=C4)Br)C

InChI

InChI=1S/C21H20BrN5O2/c1-3-4-11-23-21(28)19-13(2)27(26-24-19)16-9-10-18-17(12-16)20(29-25-18)14-5-7-15(22)8-6-14/h5-10,12H,3-4,11H2,1-2H3,(H,23,28)