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

Systemtic Name: 1-(1-adamantylmethyl)-3-azanyl-7-fluoranyl-5-(2-morpholin-4-ylethyl)-1,5-benzodiazepine-2,4-dione Openeye Name: 1-(1-adamantylmethyl)-3-amino-7-fluoro-5-(2-morpholinoethyl)-1,5-benzodiazepine-2,4-dione CAS Name: 1-(1-adamantylmethyl)-3-amino-7-fluoro-5-[2-(4-morpholinyl)ethyl]-1,5-benzodiazepine-2,4-dione IUPAC Name: 1-(1-adamantylmethyl)-3-amino-7-fluoro-5-(2-morpholin-4-ylethyl)-1,5-benzodiazepine-2,4-dione Traditional Name: 1-(1-adamantylmethyl)-3-amino-7-fluoro-5-(2-morpholinoethyl)-1,5-benzodiazepine-2,4-quinone Formula: C26H35FN4O3 MolecularWeight: 470.579503

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCN2C3=C(C=CC(=C3)F)N(C(=O)C(C2=O)N)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1COCCN1CCN2C3=C(C=CC(=C3)F)N(C(=O)C(C2=O)N)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H35FN4O3/c27-20-1-2-21-22(12-20)30(4-3-29-5-7-34-8-6-29)24(32)23(28)25(33)31(21)16-26-13-17-9-18(14-26)11-19(10-17)15-26/h1-2,12,17-19,23H,3-11,13-16,28H2