4-(1,3-benzodioxol-5-ylcarbonyl)-7-bromanyl-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: 4-(1,3-benzodioxol-5-ylcarbonyl)-7-bromanyl-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 4-(1,3-benzodioxole-5-carbonyl)-7-bromo-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 4-[1,3-benzodioxol-5-yl(oxo)methyl]-7-bromo-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 4-(1,3-benzodioxole-5-carbonyl)-7-bromo-5-(4-fluorophenyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 7-bromo-5-(4-fluorophenyl)-4-piperonyloyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C23H16BrFN2O4 MolecularWeight: 483.286543

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(C=C(C=C2)Br)C(N1C(=O)C3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)F

Isomeric SMILES

C1C(=O)NC2=C(C=C(C=C2)Br)C(N1C(=O)C3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)F

InChI

InChI=1S/C23H16BrFN2O4/c24-15-4-7-18-17(10-15)22(13-1-5-16(25)6-2-13)27(11-21(28)26-18)23(29)14-3-8-19-20(9-14)31-12-30-19/h1-10,22H,11-12H2,(H,26,28)