methyl 5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-1-methyl-pyrazole-3-carboxylate

Systemtic Name: methyl 5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-1-methyl-pyrazole-3-carboxylate Openeye Name: methyl 5-[3-[4-(benzothiophen-4-yl)piperazin-1-yl]propoxy]-1-methyl-pyrazole-3-carboxylate CAS Name: 5-[3-[4-(1-benzothiophen-4-yl)-1-piperazinyl]propoxy]-1-methyl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-1-methylpyrazole-3-carboxylate Traditional Name: 5-[3-[4-(benzothiophen-4-yl)piperazino]propoxy]-1-methyl-pyrazole-3-carboxylic acid methyl ester Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C(=O)OC)OCCCN2CCN(CC2)C3=C4C=CSC4=CC=C3

Isomeric SMILES

CN1C(=CC(=N1)C(=O)OC)OCCCN2CCN(CC2)C3=C4C=CSC4=CC=C3

InChI

InChI=1S/C21H26N4O3S/c1-23-20(15-17(22-23)21(26)27-2)28-13-4-8-24-9-11-25(12-10-24)18-5-3-6-19-16(18)7-14-29-19/h3,5-7,14-15H,4,8-13H2,1-2H3