4-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]carbonyl-2H-phthalazin-1-one

Systemtic Name: 4-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[4-[(5-chloro-2-thienyl)methyl]piperazine-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[4-[(5-chloro-2-thienyl)methyl]piperazine-1-carbonyl]-2H-phthalazin-1-one Formula: C18H17ClN4O2S MolecularWeight: 388.87118

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)Cl)C(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)Cl)C(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C18H17ClN4O2S/c19-15-6-5-12(26-15)11-22-7-9-23(10-8-22)18(25)16-13-3-1-2-4-14(13)17(24)21-20-16/h1-6H,7-11H2,(H,21,24)