3-(1-adamantylmethyl)-4-ethanoyl-1-methyl-2,7-bis(oxidanylidene)-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylate

Systemtic Name: 3-(1-adamantylmethyl)-4-ethanoyl-1-methyl-2,7-bis(oxidanylidene)-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylate Openeye Name: 4-acetyl-3-(1-adamantylmethyl)-1-methyl-2,7-dioxo-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylate CAS Name: 4-acetyl-3-(1-adamantylmethyl)-1-methyl-2,7-dioxo-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylate IUPAC Name: 4-acetyl-3-(1-adamantylmethyl)-1-methyl-2,7-dioxo-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylate Traditional Name: 4-acetyl-3-(1-adamantylmethyl)-2,7-diketo-1-methyl-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylate Formula: C26H31N2O5- MolecularWeight: 451.53474

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=O)C2=CC=CC=C2N(C(=O)C1CC34CC5CC(C3)CC(C5)C4)C)C(=O)[O-]

Isomeric SMILES

CC(=O)N1C(CC(=O)C2=CC=CC=C2N(C(=O)C1CC34CC5CC(C3)CC(C5)C4)C)C(=O)[O-]

InChI

InChI=1S/C26H32N2O5/c1-15(29)28-21(25(32)33)10-23(30)19-5-3-4-6-20(19)27(2)24(31)22(28)14-26-11-16-7-17(12-26)9-18(8-16)13-26/h3-6,16-18,21-22H,7-14H2,1-2H3,(H,32,33)/p-1