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

Systemtic Name: 3-(1-adamantylmethyl)-4-ethanoyl-2,7-bis(oxidanylidene)-1-(phenylmethyl)-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylate Openeye Name: 4-acetyl-3-(1-adamantylmethyl)-1-benzyl-2,7-dioxo-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylate CAS Name: 4-acetyl-3-(1-adamantylmethyl)-2,7-dioxo-1-(phenylmethyl)-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylate IUPAC Name: 4-acetyl-3-(1-adamantylmethyl)-1-benzyl-2,7-dioxo-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylate Traditional Name: 4-acetyl-3-(1-adamantylmethyl)-1-benzyl-2,7-diketo-5,6-dihydro-3H-1,4-benzodiazonine-5-carboxylate Formula: C32H35N2O5- MolecularWeight: 527.6307

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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)CC6=CC=CC=C6)C(=O)[O-]

Isomeric SMILES

CC(=O)N1C(CC(=O)C2=CC=CC=C2N(C(=O)C1CC34CC5CC(C3)CC(C5)C4)CC6=CC=CC=C6)C(=O)[O-]

InChI

InChI=1S/C32H36N2O5/c1-20(35)34-27(31(38)39)14-29(36)25-9-5-6-10-26(25)33(19-21-7-3-2-4-8-21)30(37)28(34)18-32-15-22-11-23(16-32)13-24(12-22)17-32/h2-10,22-24,27-28H,11-19H2,1H3,(H,38,39)/p-1