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

Systemtic Name: 2-[[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]methyl]phthalazin-1-one CAS Name: 2-[[4-[1-(1,3-benzothiazol-2-yl)ethyl]-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 2-[[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazino]methyl]phthalazin-1-one Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)CN4C(=O)C5=CC=CC=C5C=N4

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)CN4C(=O)C5=CC=CC=C5C=N4

InChI

InChI=1S/C22H23N5OS/c1-16(21-24-19-8-4-5-9-20(19)29-21)26-12-10-25(11-13-26)15-27-22(28)18-7-3-2-6-17(18)14-23-27/h2-9,14,16H,10-13,15H2,1H3