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

Systemtic Name: 4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]carbonyl-2-butyl-phthalazin-1-one Openeye Name: 4-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]-2-butyl-phthalazin-1-one CAS Name: 4-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-oxomethyl]-2-butyl-1-phthalazinone IUPAC Name: 4-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]-2-butylphthalazin-1-one Traditional Name: 4-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]-2-butyl-phthalazin-1-one Formula: C25H27N5O2S MolecularWeight: 461.57918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H27N5O2S/c1-2-3-12-30-24(31)19-9-5-4-8-18(19)23(27-30)25(32)29-15-13-28(14-16-29)17-22-26-20-10-6-7-11-21(20)33-22/h4-11H,2-3,12-17H2,1H3