dimethyl 7-cyclopropyl-3-methyl-9-oxidanylidene-2,4-dipyridin-2-yl-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate

Systemtic Name: dimethyl 7-cyclopropyl-3-methyl-9-oxidanylidene-2,4-dipyridin-2-yl-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate Openeye Name: dimethyl 7-cyclopropyl-3-methyl-9-oxo-2,4-bis(2-pyridyl)-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate CAS Name: 7-cyclopropyl-3-methyl-9-oxo-2,4-bis(2-pyridinyl)-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 7-cyclopropyl-3-methyl-9-oxo-2,4-dipyridin-2-yl-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate Traditional Name: 7-cyclopropyl-9-keto-3-methyl-2,4-bis(2-pyridyl)-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylic acid dimethyl ester Formula: C25H28N4O5 MolecularWeight: 464.51362

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C2(CN(CC(C1C3=CC=CC=N3)(C2=O)C(=O)OC)C4CC4)C(=O)OC)C5=CC=CC=N5

Isomeric SMILES

CN1C(C2(CN(CC(C1C3=CC=CC=N3)(C2=O)C(=O)OC)C4CC4)C(=O)OC)C5=CC=CC=N5

InChI

InChI=1S/C25H28N4O5/c1-28-19(17-8-4-6-12-26-17)24(22(31)33-2)14-29(16-10-11-16)15-25(21(24)30,23(32)34-3)20(28)18-9-5-7-13-27-18/h4-9,12-13,16,19-20H,10-11,14-15H2,1-3H3