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

Systemtic Name: 2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-4-methyl-phthalazin-1-one Openeye Name: 2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-4-methyl-phthalazin-1-one CAS Name: 2-[4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]butyl]-4-methyl-1-phthalazinone IUPAC Name: 2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-4-methylphthalazin-1-one Traditional Name: 2-[4-[4-(1,2-benzothiazol-3-yl)piperazino]butyl]-4-methyl-phthalazin-1-one Formula: C24H27N5OS MolecularWeight: 433.56908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)CCCCN3CCN(CC3)C4=NSC5=CC=CC=C54

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)CCCCN3CCN(CC3)C4=NSC5=CC=CC=C54

InChI

InChI=1S/C24H27N5OS/c1-18-19-8-2-3-9-20(19)24(30)29(25-18)13-7-6-12-27-14-16-28(17-15-27)23-21-10-4-5-11-22(21)31-26-23/h2-5,8-11H,6-7,12-17H2,1H3