4-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]carbonyl-2H-phthalazin-1-one

Systemtic Name: 4-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[4-(benzothiophen-3-ylmethyl)piperazine-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[[4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(1-benzothiophen-3-ylmethyl)piperazine-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(benzothiophen-3-ylmethyl)piperazine-1-carbonyl]-2H-phthalazin-1-one Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC3=CC=CC=C32)C(=O)C4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CC2=CSC3=CC=CC=C32)C(=O)C4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C22H20N4O2S/c27-21-18-7-2-1-6-17(18)20(23-24-21)22(28)26-11-9-25(10-12-26)13-15-14-29-19-8-4-3-5-16(15)19/h1-8,14H,9-13H2,(H,24,27)