N-[2-(4-chloranyl-2-fluoranyl-phenyl)ethyl]-4-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide

Systemtic Name: N-[2-(4-chloranyl-2-fluoranyl-phenyl)ethyl]-4-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide Openeye Name: N-[2-(4-chloro-2-fluoro-phenyl)ethyl]-4-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide CAS Name: N-[2-(4-chloro-2-fluorophenyl)ethyl]-4-[[3-[(4-chlorophenyl)methyl]-4-imidazolyl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide IUPAC Name: N-[2-(4-chloro-2-fluorophenyl)ethyl]-4-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide Traditional Name: 4-[[3-(4-chlorobenzyl)imidazol-4-yl]methyl]-N-[2-(4-chloro-2-fluoro-phenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide Formula: C28H25Cl2FN4O2 MolecularWeight: 539.428103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=CC=C2N1CC3=CN=CN3CC4=CC=C(C=C4)Cl)C(=O)NCCC5=C(C=C(C=C5)Cl)F

Isomeric SMILES

C1COC2=C(C=CC=C2N1CC3=CN=CN3CC4=CC=C(C=C4)Cl)C(=O)NCCC5=C(C=C(C=C5)Cl)F

InChI

InChI=1S/C28H25Cl2FN4O2/c29-21-7-4-19(5-8-21)16-35-18-32-15-23(35)17-34-12-13-37-27-24(2-1-3-26(27)34)28(36)33-11-10-20-6-9-22(30)14-25(20)31/h1-9,14-15,18H,10-13,16-17H2,(H,33,36)