2-(1,3-benzothiazol-2-yl)-4-chloranyl-5-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-chloranyl-5-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-chloro-5-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-4-chloro-5-[4-(4-methoxyphenyl)-1-piperazinyl]-3-pyridazinone IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-chloro-5-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-chloro-5-[4-(4-methoxyphenyl)piperazino]pyridazin-3-one Formula: C22H20ClN5O2S MolecularWeight: 453.9445

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=NC5=CC=CC=C5S4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=NC5=CC=CC=C5S4)Cl

InChI

InChI=1S/C22H20ClN5O2S/c1-30-16-8-6-15(7-9-16)26-10-12-27(13-11-26)18-14-24-28(21(29)20(18)23)22-25-17-4-2-3-5-19(17)31-22/h2-9,14H,10-13H2,1H3