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

Systemtic Name: dimethyl 7-methyl-9-oxidanylidene-3-phenethyl-2,4-dipyridin-2-yl-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate Openeye Name: dimethyl 7-methyl-9-oxo-3-phenethyl-2,4-bis(2-pyridyl)-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate CAS Name: 7-methyl-9-oxo-3-phenethyl-2,4-bis(2-pyridinyl)-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 7-methyl-9-oxo-3-phenethyl-2,4-dipyridin-2-yl-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate Traditional Name: 9-keto-7-methyl-3-phenethyl-2,4-bis(2-pyridyl)-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylic acid dimethyl ester Formula: C30H32N4O5 MolecularWeight: 528.59888

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2(C(N(C(C(C1)(C2=O)C(=O)OC)C3=CC=CC=N3)CCC4=CC=CC=C4)C5=CC=CC=N5)C(=O)OC

Isomeric SMILES

CN1CC2(C(N(C(C(C1)(C2=O)C(=O)OC)C3=CC=CC=N3)CCC4=CC=CC=C4)C5=CC=CC=N5)C(=O)OC

InChI

InChI=1S/C30H32N4O5/c1-33-19-29(27(36)38-2)24(22-13-7-9-16-31-22)34(18-15-21-11-5-4-6-12-21)25(23-14-8-10-17-32-23)30(20-33,26(29)35)28(37)39-3/h4-14,16-17,24-25H,15,18-20H2,1-3H3