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

Systemtic Name: 4-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazine-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[[4-[1-(1,3-benzothiazol-2-yl)ethyl]-1-piperazinyl]-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazine-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazine-1-carbonyl]-2H-phthalazin-1-one Formula: C22H21N5O2S MolecularWeight: 419.49944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)C(=O)C4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)C(=O)C4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C22H21N5O2S/c1-14(21-23-17-8-4-5-9-18(17)30-21)26-10-12-27(13-11-26)22(29)19-15-6-2-3-7-16(15)20(28)25-24-19/h2-9,14H,10-13H2,1H3,(H,25,28)