N-[2-(3-bromanyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]-4-(4-methylphenyl)-1-oxidanylidene-isochromene-3-carboxamide

Systemtic Name: N-[2-(3-bromanyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]-4-(4-methylphenyl)-1-oxidanylidene-isochromene-3-carboxamide Openeye Name: N-[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]-1-oxo-4-(p-tolyl)isochromene-3-carboxamide CAS Name: N-[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-(4-methylphenyl)-1-oxo-2-benzopyran-3-carboxamide IUPAC Name: N-[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-(4-methylphenyl)-1-oxoisochromene-3-carboxamide Traditional Name: N-[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]-1-keto-4-(p-tolyl)isochromene-3-carboxamide Formula: C31H21BrN2O5 MolecularWeight: 581.41284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(OC(=O)C3=CC=CC=C32)C(=O)NC4=CC5=C(C=C4)OC(=N5)C6=CC(=C(C=C6)OC)Br

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(OC(=O)C3=CC=CC=C32)C(=O)NC4=CC5=C(C=C4)OC(=N5)C6=CC(=C(C=C6)OC)Br

InChI

InChI=1S/C31H21BrN2O5/c1-17-7-9-18(10-8-17)27-21-5-3-4-6-22(21)31(36)39-28(27)29(35)33-20-12-14-26-24(16-20)34-30(38-26)19-11-13-25(37-2)23(32)15-19/h3-16H,1-2H3,(H,33,35)