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

Systemtic Name: 5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-1-methyl-pyrazole-3-carboxylic acid Openeye Name: 5-[3-[4-(benzothiophen-4-yl)piperazin-1-yl]propoxy]-1-methyl-pyrazole-3-carboxylic acid CAS Name: 5-[3-[4-(1-benzothiophen-4-yl)-1-piperazinyl]propoxy]-1-methyl-3-pyrazolecarboxylic acid IUPAC Name: 5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propoxy]-1-methylpyrazole-3-carboxylic acid Traditional Name: 5-[3-[4-(benzothiophen-4-yl)piperazino]propoxy]-1-methyl-pyrazole-3-carboxylic acid Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O3S/c1-22-19(14-16(21-22)20(25)26)27-12-3-7-23-8-10-24(11-9-23)17-4-2-5-18-15(17)6-13-28-18/h2,4-6,13-14H,3,7-12H2,1H3,(H,25,26)