2-[5-(2-fluorophenyl)-1-(furan-2-ylmethyl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]isoindole-1,3-dione

Systemtic Name: 2-[5-(2-fluorophenyl)-1-(furan-2-ylmethyl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]isoindole-1,3-dione Openeye Name: 2-[5-(2-fluorophenyl)-1-(2-furylmethyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]isoindoline-1,3-dione CAS Name: 2-[5-(2-fluorophenyl)-1-(2-furanylmethyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]isoindole-1,3-dione IUPAC Name: 2-[5-(2-fluorophenyl)-1-(furan-2-ylmethyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]isoindole-1,3-dione Traditional Name: 2-[5-(2-fluorophenyl)-1-(2-furfuryl)-2-keto-3H-1,4-benzodiazepin-3-yl]isoindoline-1,3-quinone Formula: C28H18FN3O4 MolecularWeight: 479.458623

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C3C(=O)N(C4=CC=CC=C4C(=N3)C5=CC=CC=C5F)CC6=CC=CO6

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3C(=O)N(C4=CC=CC=C4C(=N3)C5=CC=CC=C5F)CC6=CC=CO6

InChI

InChI=1S/C28H18FN3O4/c29-22-13-5-3-11-20(22)24-21-12-4-6-14-23(21)31(16-17-8-7-15-36-17)28(35)25(30-24)32-26(33)18-9-1-2-10-19(18)27(32)34/h1-15,25H,16H2