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

Systemtic Name: 4-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one Openeye Name: 2-benzyl-4-[4-[(5-chloro-2-thienyl)methyl]piperazine-1-carbonyl]phthalazin-1-one CAS Name: 4-[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]-oxomethyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-benzyl-4-[4-[(5-chloro-2-thienyl)methyl]piperazine-1-carbonyl]phthalazin-1-one Formula: C25H23ClN4O2S MolecularWeight: 478.99372

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)Cl)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)Cl)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C25H23ClN4O2S/c26-22-11-10-19(33-22)17-28-12-14-29(15-13-28)25(32)23-20-8-4-5-9-21(20)24(31)30(27-23)16-18-6-2-1-3-7-18/h1-11H,12-17H2