1-adamantyl 2-[3-azanyl-5-(2-fluorophenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]ethanoate

Systemtic Name: 1-adamantyl 2-[3-azanyl-5-(2-fluorophenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]ethanoate Openeye Name: 1-adamantyl 2-[3-amino-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetate CAS Name: 2-[3-amino-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid 1-adamantyl ester IUPAC Name: 1-adamantyl 2-[3-amino-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetate Traditional Name: 2-[3-amino-5-(2-fluorophenyl)-2-keto-3H-1,4-benzodiazepin-1-yl]acetic acid 1-adamantyl ester Formula: C27H28FN3O3 MolecularWeight: 461.527923

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OC(=O)CN4C5=CC=CC=C5C(=NC(C4=O)N)C6=CC=CC=C6F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OC(=O)CN4C5=CC=CC=C5C(=NC(C4=O)N)C6=CC=CC=C6F

InChI

InChI=1S/C27H28FN3O3/c28-21-7-3-1-5-19(21)24-20-6-2-4-8-22(20)31(26(33)25(29)30-24)15-23(32)34-27-12-16-9-17(13-27)11-18(10-16)14-27/h1-8,16-18,25H,9-15,29H2