methyl 2-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-chloranyl-6-oxidanylidene-pyridazin-1-yl]benzoate

Systemtic Name: methyl 2-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-chloranyl-6-oxidanylidene-pyridazin-1-yl]benzoate Openeye Name: methyl 2-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-chloro-6-oxo-pyridazin-1-yl]benzoate CAS Name: 2-[4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-chloro-6-oxo-1-pyridazinyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-chloro-6-oxopyridazin-1-yl]benzoate Traditional Name: 2-[5-chloro-6-keto-4-(4-piperonylpiperazino)pyridazin-1-yl]benzoic acid methyl ester Formula: C24H23ClN4O5 MolecularWeight: 482.91622

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1N2C(=O)C(=C(C=N2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1N2C(=O)C(=C(C=N2)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)Cl

InChI

InChI=1S/C24H23ClN4O5/c1-32-24(31)17-4-2-3-5-18(17)29-23(30)22(25)19(13-26-29)28-10-8-27(9-11-28)14-16-6-7-20-21(12-16)34-15-33-20/h2-7,12-13H,8-11,14-15H2,1H3