(7-bromanyl-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) adamantane-1-carboxylate

Systemtic Name: (7-bromanyl-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) adamantane-1-carboxylate Openeye Name: (7-bromo-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid (7-bromo-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) ester IUPAC Name: (7-bromo-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid (7-bromo-2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) ester Formula: C26H25BrN2O3 MolecularWeight: 493.3923

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OC4C(=O)NC5=C(C=C(C=C5)Br)C(=N4)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OC4C(=O)NC5=C(C=C(C=C5)Br)C(=N4)C6=CC=CC=C6

InChI

InChI=1S/C26H25BrN2O3/c27-19-6-7-21-20(11-19)22(18-4-2-1-3-5-18)29-24(23(30)28-21)32-25(31)26-12-15-8-16(13-26)10-17(9-15)14-26/h1-7,11,15-17,24H,8-10,12-14H2,(H,28,30)