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

Systemtic Name: methyl 3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole-5-carboxylate Openeye Name: methyl 3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole-5-carboxylate CAS Name: 3-[3-[4-(5-methoxy-4-pyrimidinyl)-1-piperazinyl]propyl]-1H-indole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole-5-carboxylate Traditional Name: 3-[3-[4-(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=C1N2CCN(CC2)CCCC3=CNC4=C3C=C(C=C4)C(=O)OC

Isomeric SMILES

COC1=CN=CN=C1N2CCN(CC2)CCCC3=CNC4=C3C=C(C=C4)C(=O)OC

InChI

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