1-(1-adamantylmethyl)-3-azanyl-7-fluoranyl-5-phenyl-1,5-benzodiazepine-2,4-dione

Systemtic Name: 1-(1-adamantylmethyl)-3-azanyl-7-fluoranyl-5-phenyl-1,5-benzodiazepine-2,4-dione Openeye Name: 1-(1-adamantylmethyl)-3-amino-7-fluoro-5-phenyl-1,5-benzodiazepine-2,4-dione CAS Name: 1-(1-adamantylmethyl)-3-amino-7-fluoro-5-phenyl-1,5-benzodiazepine-2,4-dione IUPAC Name: 1-(1-adamantylmethyl)-3-amino-7-fluoro-5-phenyl-1,5-benzodiazepine-2,4-dione Traditional Name: 1-(1-adamantylmethyl)-3-amino-7-fluoro-5-phenyl-1,5-benzodiazepine-2,4-quinone Formula: C26H28FN3O2 MolecularWeight: 433.517823

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CN4C5=C(C=C(C=C5)F)N(C(=O)C(C4=O)N)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CN4C5=C(C=C(C=C5)F)N(C(=O)C(C4=O)N)C6=CC=CC=C6

InChI

InChI=1S/C26H28FN3O2/c27-19-6-7-21-22(11-19)30(20-4-2-1-3-5-20)25(32)23(28)24(31)29(21)15-26-12-16-8-17(13-26)10-18(9-16)14-26/h1-7,11,16-18,23H,8-10,12-15,28H2