4-[4-(4-hexoxyphenyl)piperazin-1-yl]pyridazine-3-carboxylic acid

Systemtic Name: 4-[4-(4-hexoxyphenyl)piperazin-1-yl]pyridazine-3-carboxylic acid Openeye Name: 4-[4-(4-hexoxyphenyl)piperazin-1-yl]pyridazine-3-carboxylic acid CAS Name: 4-[4-(4-hexoxyphenyl)-1-piperazinyl]-3-pyridazinecarboxylic acid IUPAC Name: 4-[4-(4-hexoxyphenyl)piperazin-1-yl]pyridazine-3-carboxylic acid Traditional Name: 4-[4-(4-hexoxyphenyl)piperazino]pyridazine-3-carboxylic acid Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)N2CCN(CC2)C3=C(N=NC=C3)C(=O)O

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)N2CCN(CC2)C3=C(N=NC=C3)C(=O)O

InChI

InChI=1S/C21H28N4O3/c1-2-3-4-5-16-28-18-8-6-17(7-9-18)24-12-14-25(15-13-24)19-10-11-22-23-20(19)21(26)27/h6-11H,2-5,12-16H2,1H3,(H,26,27)