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

Systemtic Name: 1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-N-cyclopentyl-5-methyl-1,2,3-triazole-4-carboxamide Openeye Name: 1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-N-cyclopentyl-5-methyl-triazole-4-carboxamide CAS Name: 1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-N-cyclopentyl-5-methyl-4-triazolecarboxamide IUPAC Name: 1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-N-cyclopentyl-5-methyltriazole-4-carboxamide Traditional Name: 1-[3-(4-bromophenyl)anthranil-5-yl]-N-cyclopentyl-5-methyl-triazole-4-carboxamide Formula: C22H20BrN5O2 MolecularWeight: 466.3305

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1C2=CC3=C(ON=C3C=C2)C4=CC=C(C=C4)Br)C(=O)NC5CCCC5

Isomeric SMILES

CC1=C(N=NN1C2=CC3=C(ON=C3C=C2)C4=CC=C(C=C4)Br)C(=O)NC5CCCC5

InChI

InChI=1S/C22H20BrN5O2/c1-13-20(22(29)24-16-4-2-3-5-16)25-27-28(13)17-10-11-19-18(12-17)21(30-26-19)14-6-8-15(23)9-7-14/h6-12,16H,2-5H2,1H3,(H,24,29)