7-bromanyl-4-(2-oxidanylidenechromen-3-yl)carbonyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: 7-bromanyl-4-(2-oxidanylidenechromen-3-yl)carbonyl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 7-bromo-4-(2-oxochromene-3-carbonyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 7-bromo-4-[oxo-(2-oxo-1-benzopyran-3-yl)methyl]-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 7-bromo-4-(2-oxochromene-3-carbonyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 7-bromo-4-(2-ketochromene-3-carbonyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C25H17BrN2O4 MolecularWeight: 489.31748

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(C=C(C=C2)Br)C(N1C(=O)C3=CC4=CC=CC=C4OC3=O)C5=CC=CC=C5

Isomeric SMILES

C1C(=O)NC2=C(C=C(C=C2)Br)C(N1C(=O)C3=CC4=CC=CC=C4OC3=O)C5=CC=CC=C5

InChI

InChI=1S/C25H17BrN2O4/c26-17-10-11-20-18(13-17)23(15-6-2-1-3-7-15)28(14-22(29)27-20)24(30)19-12-16-8-4-5-9-21(16)32-25(19)31/h1-13,23H,14H2,(H,27,29)