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

Systemtic Name: 2-[5-(2-fluorophenyl)-2-oxidanylidene-1-(pyridin-4-ylmethyl)-3H-1,4-benzodiazepin-3-yl]isoindole-1,3-dione Openeye Name: 2-[5-(2-fluorophenyl)-2-oxo-1-(4-pyridylmethyl)-3H-1,4-benzodiazepin-3-yl]isoindoline-1,3-dione CAS Name: 2-[5-(2-fluorophenyl)-2-oxo-1-(pyridin-4-ylmethyl)-3H-1,4-benzodiazepin-3-yl]isoindole-1,3-dione IUPAC Name: 2-[5-(2-fluorophenyl)-2-oxo-1-(pyridin-4-ylmethyl)-3H-1,4-benzodiazepin-3-yl]isoindole-1,3-dione Traditional Name: 2-[5-(2-fluorophenyl)-2-keto-1-(4-pyridylmethyl)-3H-1,4-benzodiazepin-3-yl]isoindoline-1,3-quinone Formula: C29H19FN4O3 MolecularWeight: 490.484563

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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=NC=C6

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=NC=C6

InChI

InChI=1S/C29H19FN4O3/c30-23-11-5-3-9-21(23)25-22-10-4-6-12-24(22)33(17-18-13-15-31-16-14-18)29(37)26(32-25)34-27(35)19-7-1-2-8-20(19)28(34)36/h1-16,26H,17H2