methyl 2-[5-chloranyl-4-[4-(furan-2-ylmethyl)piperazin-1-yl]-6-oxidanylidene-pyridazin-1-yl]benzoate

Systemtic Name: methyl 2-[5-chloranyl-4-[4-(furan-2-ylmethyl)piperazin-1-yl]-6-oxidanylidene-pyridazin-1-yl]benzoate Openeye Name: methyl 2-[5-chloro-4-[4-(2-furylmethyl)piperazin-1-yl]-6-oxo-pyridazin-1-yl]benzoate CAS Name: 2-[5-chloro-4-[4-(2-furanylmethyl)-1-piperazinyl]-6-oxo-1-pyridazinyl]benzoic acid methyl ester IUPAC Name: methyl 2-[5-chloro-4-[4-(furan-2-ylmethyl)piperazin-1-yl]-6-oxopyridazin-1-yl]benzoate Traditional Name: 2-[5-chloro-4-[4-(2-furfuryl)piperazino]-6-keto-pyridazin-1-yl]benzoic acid methyl ester Formula: C21H21ClN4O4 MolecularWeight: 428.86884

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1N2C(=O)C(=C(C=N2)N3CCN(CC3)CC4=CC=CO4)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1N2C(=O)C(=C(C=N2)N3CCN(CC3)CC4=CC=CO4)Cl

InChI

InChI=1S/C21H21ClN4O4/c1-29-21(28)16-6-2-3-7-17(16)26-20(27)19(22)18(13-23-26)25-10-8-24(9-11-25)14-15-5-4-12-30-15/h2-7,12-13H,8-11,14H2,1H3