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

Systemtic Name: dimethyl 3-methyl-9-oxidanylidene-7-prop-2-ynyl-2,4-dipyridin-2-yl-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate Openeye Name: dimethyl 3-methyl-9-oxo-7-prop-2-ynyl-2,4-bis(2-pyridyl)-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate CAS Name: 3-methyl-9-oxo-7-prop-2-ynyl-2,4-bis(2-pyridinyl)-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-9-oxo-7-prop-2-ynyl-2,4-dipyridin-2-yl-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate Traditional Name: 9-keto-3-methyl-7-propargyl-2,4-bis(2-pyridyl)-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylic acid dimethyl ester Formula: C25H26N4O5 MolecularWeight: 462.49774

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C2(CN(CC(C1C3=CC=CC=N3)(C2=O)C(=O)OC)CC#C)C(=O)OC)C4=CC=CC=N4

Isomeric SMILES

CN1C(C2(CN(CC(C1C3=CC=CC=N3)(C2=O)C(=O)OC)CC#C)C(=O)OC)C4=CC=CC=N4

InChI

InChI=1S/C25H26N4O5/c1-5-14-29-15-24(22(31)33-3)19(17-10-6-8-12-26-17)28(2)20(18-11-7-9-13-27-18)25(16-29,21(24)30)23(32)34-4/h1,6-13,19-20H,14-16H2,2-4H3