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

Systemtic Name: 1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-(oxolan-2-ylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-(tetrahydrofuran-2-ylmethyl)triazole-4-carboxamide CAS Name: 1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-(2-oxolanylmethyl)-4-triazolecarboxamide IUPAC Name: 1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-(oxolan-2-ylmethyl)triazole-4-carboxamide Traditional Name: 1-[3-(4-bromophenyl)anthranil-5-yl]-5-methyl-N-(tetrahydrofurfuryl)triazole-4-carboxamide Formula: C22H20BrN5O3 MolecularWeight: 482.3299

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)NCC5CCCO5

Isomeric SMILES

CC1=C(N=NN1C2=CC3=C(ON=C3C=C2)C4=CC=C(C=C4)Br)C(=O)NCC5CCCO5

InChI

InChI=1S/C22H20BrN5O3/c1-13-20(22(29)24-12-17-3-2-10-30-17)25-27-28(13)16-8-9-19-18(11-16)21(31-26-19)14-4-6-15(23)7-5-14/h4-9,11,17H,2-3,10,12H2,1H3,(H,24,29)