N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-3,5-dimethyl-benzamide

Systemtic Name: N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-3,5-dimethyl-benzamide Openeye Name: N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-3,5-dimethyl-benzamide CAS Name: N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-3,5-dimethylbenzamide IUPAC Name: N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-3,5-dimethylbenzamide Traditional Name: N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-3,5-dimethyl-benzamide Formula: C22H17BrN2O2 MolecularWeight: 421.28658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CC=C4)Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CC=C4)Br)C

InChI

InChI=1S/C22H17BrN2O2/c1-13-8-14(2)10-16(9-13)21(26)24-18-6-7-20-19(12-18)25-22(27-20)15-4-3-5-17(23)11-15/h3-12H,1-2H3,(H,24,26)