methyl 3-[3-[2-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole-5-carboxylate

Systemtic Name: methyl 3-[3-[2-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole-5-carboxylate Openeye Name: methyl 3-[3-[2-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole-5-carboxylate CAS Name: 3-[3-[2-(5-methoxy-4-pyrimidinyl)-1-piperazinyl]propyl]-1H-indole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-[2-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole-5-carboxylate Traditional Name: 3-[3-[2-(5-methoxypyrimidin-4-yl)piperazino]propyl]-1H-indole-5-carboxylic acid methyl ester Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=CN=C1C2CNCCN2CCCC3=CNC4=C3C=C(C=C4)C(=O)OC

Isomeric SMILES

COC1=CN=CN=C1C2CNCCN2CCCC3=CNC4=C3C=C(C=C4)C(=O)OC

InChI

InChI=1S/C22H27N5O3/c1-29-20-13-24-14-26-21(20)19-12-23-7-9-27(19)8-3-4-16-11-25-18-6-5-15(10-17(16)18)22(28)30-2/h5-6,10-11,13-14,19,23,25H,3-4,7-9,12H2,1-2H3