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

Systemtic Name: 2-[5-(2-fluorophenyl)-2-oxidanylidene-1-(thiophen-3-ylmethyl)-3H-1,4-benzodiazepin-3-yl]isoindole-1,3-dione Openeye Name: 2-[5-(2-fluorophenyl)-2-oxo-1-(3-thienylmethyl)-3H-1,4-benzodiazepin-3-yl]isoindoline-1,3-dione CAS Name: 2-[5-(2-fluorophenyl)-2-oxo-1-(3-thiophenylmethyl)-3H-1,4-benzodiazepin-3-yl]isoindole-1,3-dione IUPAC Name: 2-[5-(2-fluorophenyl)-2-oxo-1-(thiophen-3-ylmethyl)-3H-1,4-benzodiazepin-3-yl]isoindole-1,3-dione Traditional Name: 2-[5-(2-fluorophenyl)-2-keto-1-(3-thenyl)-3H-1,4-benzodiazepin-3-yl]isoindoline-1,3-quinone Formula: C28H18FN3O3S MolecularWeight: 495.524223

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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=CSC=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=CSC=C6

InChI

InChI=1S/C28H18FN3O3S/c29-22-11-5-3-9-20(22)24-21-10-4-6-12-23(21)31(15-17-13-14-36-16-17)28(35)25(30-24)32-26(33)18-7-1-2-8-19(18)27(32)34/h1-14,16,25H,15H2