dimethyl 1-[1-(1H-indol-2-ylcarbonyl)piperidin-4-yl]-1,2,3-triazole-4,5-dicarboxylate

Systemtic Name: dimethyl 1-[1-(1H-indol-2-ylcarbonyl)piperidin-4-yl]-1,2,3-triazole-4,5-dicarboxylate Openeye Name: dimethyl 1-[1-(1H-indole-2-carbonyl)-4-piperidyl]triazole-4,5-dicarboxylate CAS Name: 1-[1-[1H-indol-2-yl(oxo)methyl]-4-piperidinyl]triazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[1-(1H-indole-2-carbonyl)piperidin-4-yl]triazole-4,5-dicarboxylate Traditional Name: 1-[1-(1H-indole-2-carbonyl)-4-piperidyl]triazole-4,5-dicarboxylic acid dimethyl ester Formula: C20H21N5O5 MolecularWeight: 411.41124

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=N1)C2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N3)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(N(N=N1)C2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N3)C(=O)OC

InChI

InChI=1S/C20H21N5O5/c1-29-19(27)16-17(20(28)30-2)25(23-22-16)13-7-9-24(10-8-13)18(26)15-11-12-5-3-4-6-14(12)21-15/h3-6,11,13,21H,7-10H2,1-2H3