4-[6-(2-fluorophenyl)-7-oxidanylidene-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[6-(2-fluorophenyl)-7-oxidanylidene-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[6-(2-fluorophenyl)-7-oxo-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxo-butanoic acid CAS Name: 4-[6-(2-fluorophenyl)-7-oxo-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid IUPAC Name: 4-[6-(2-fluorophenyl)-7-oxo-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid Traditional Name: 4-[6-(2-fluorophenyl)-7-keto-9-phenyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-keto-butyric acid Formula: C29H25FN2O4 MolecularWeight: 484.518203

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C2=C1NC3=CC=CC=C3N(C2C4=CC=CC=C4F)C(=O)CCC(=O)O)C5=CC=CC=C5

Isomeric SMILES

C1C(CC(=O)C2=C1NC3=CC=CC=C3N(C2C4=CC=CC=C4F)C(=O)CCC(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C29H25FN2O4/c30-21-11-5-4-10-20(21)29-28-23(16-19(17-25(28)33)18-8-2-1-3-9-18)31-22-12-6-7-13-24(22)32(29)26(34)14-15-27(35)36/h1-13,19,29,31H,14-17H2,(H,35,36)