6-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]carbonyl-2-(phenylmethyl)pyridazin-3-one

Systemtic Name: 6-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]carbonyl-2-(phenylmethyl)pyridazin-3-one Openeye Name: 6-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazine-1-carbonyl]-2-benzyl-pyridazin-3-one CAS Name: 6-[[4-[1-(1,3-benzothiazol-2-yl)ethyl]-1-piperazinyl]-oxomethyl]-2-(phenylmethyl)-3-pyridazinone IUPAC Name: 6-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazine-1-carbonyl]-2-benzylpyridazin-3-one Traditional Name: 6-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazine-1-carbonyl]-2-benzyl-pyridazin-3-one Formula: C25H25N5O2S MolecularWeight: 459.5633

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)C(=O)C4=NN(C(=O)C=C4)CC5=CC=CC=C5

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)C(=O)C4=NN(C(=O)C=C4)CC5=CC=CC=C5

InChI

InChI=1S/C25H25N5O2S/c1-18(24-26-20-9-5-6-10-22(20)33-24)28-13-15-29(16-14-28)25(32)21-11-12-23(31)30(27-21)17-19-7-3-2-4-8-19/h2-12,18H,13-17H2,1H3