2-[4-[5-chloranyl-4-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]-6-oxidanylidene-pyridazin-1-yl]butyl]phthalazin-1-one

Systemtic Name: 2-[4-[5-chloranyl-4-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]-6-oxidanylidene-pyridazin-1-yl]butyl]phthalazin-1-one Openeye Name: 2-[4-[5-chloro-4-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]-6-oxo-pyridazin-1-yl]butyl]phthalazin-1-one CAS Name: 2-[4-[5-chloro-4-[4-[2-(2-methoxyphenoxy)ethyl]-1-piperazinyl]-6-oxo-1-pyridazinyl]butyl]-1-phthalazinone IUPAC Name: 2-[4-[5-chloro-4-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]-6-oxopyridazin-1-yl]butyl]phthalazin-1-one Traditional Name: 2-[4-[5-chloro-6-keto-4-[4-[2-(2-methoxyphenoxy)ethyl]piperazino]pyridazin-1-yl]butyl]phthalazin-1-one Formula: C29H33ClN6O4 MolecularWeight: 565.06312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCCN2CCN(CC2)C3=C(C(=O)N(N=C3)CCCCN4C(=O)C5=CC=CC=C5C=N4)Cl

Isomeric SMILES

COC1=CC=CC=C1OCCN2CCN(CC2)C3=C(C(=O)N(N=C3)CCCCN4C(=O)C5=CC=CC=C5C=N4)Cl

InChI

InChI=1S/C29H33ClN6O4/c1-39-25-10-4-5-11-26(25)40-19-18-33-14-16-34(17-15-33)24-21-32-36(29(38)27(24)30)13-7-6-12-35-28(37)23-9-3-2-8-22(23)20-31-35/h2-5,8-11,20-21H,6-7,12-19H2,1H3