2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]phthalazin-1-one

Systemtic Name: 2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]phthalazin-1-one Openeye Name: 2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]phthalazin-1-one CAS Name: 2-[4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]butyl]-1-phthalazinone IUPAC Name: 2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]phthalazin-1-one Traditional Name: 2-[4-[4-(1,2-benzothiazol-3-yl)piperazino]butyl]phthalazin-1-one Formula: C23H25N5OS MolecularWeight: 419.5425

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3C=N2)C4=NSC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3C=N2)C4=NSC5=CC=CC=C54

InChI

InChI=1S/C23H25N5OS/c29-23-19-8-2-1-7-18(19)17-24-28(23)12-6-5-11-26-13-15-27(16-14-26)22-20-9-3-4-10-21(20)30-25-22/h1-4,7-10,17H,5-6,11-16H2