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

Systemtic Name: 4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]carbonyl-2-ethyl-phthalazin-1-one Openeye Name: 4-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]-2-ethyl-phthalazin-1-one CAS Name: 4-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-oxomethyl]-2-ethyl-1-phthalazinone IUPAC Name: 4-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]-2-ethylphthalazin-1-one Traditional Name: 4-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]-2-ethyl-phthalazin-1-one Formula: C23H23N5O2S MolecularWeight: 433.52602

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H23N5O2S/c1-2-28-22(29)17-8-4-3-7-16(17)21(25-28)23(30)27-13-11-26(12-14-27)15-20-24-18-9-5-6-10-19(18)31-20/h3-10H,2,11-15H2,1H3