[4-(6-iodanylpyridazin-3-yl)piperazin-1-yl] 2-ethoxybenzoate

Systemtic Name: [4-(6-iodanylpyridazin-3-yl)piperazin-1-yl] 2-ethoxybenzoate Openeye Name: [4-(6-iodopyridazin-3-yl)piperazin-1-yl] 2-ethoxybenzoate CAS Name: 2-ethoxybenzoic acid [4-(6-iodo-3-pyridazinyl)-1-piperazinyl] ester IUPAC Name: [4-(6-iodopyridazin-3-yl)piperazin-1-yl] 2-ethoxybenzoate Traditional Name: 2-ethoxybenzoic acid [4-(6-iodopyridazin-3-yl)piperazino] ester Formula: C17H19IN4O3 MolecularWeight: 454.26223

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)ON2CCN(CC2)C3=NN=C(C=C3)I

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)ON2CCN(CC2)C3=NN=C(C=C3)I

InChI

InChI=1S/C17H19IN4O3/c1-2-24-14-6-4-3-5-13(14)17(23)25-22-11-9-21(10-12-22)16-8-7-15(18)19-20-16/h3-8H,2,9-12H2,1H3