5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-chloranyl-2-phenyl-pyridazin-3-one

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-chloranyl-2-phenyl-pyridazin-3-one Openeye Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-chloro-2-phenyl-pyridazin-3-one CAS Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-chloro-2-phenyl-3-pyridazinone IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-chloro-2-phenylpyridazin-3-one Traditional Name: 4-chloro-2-phenyl-5-(4-piperonylpiperazino)pyridazin-3-one Formula: C22H21ClN4O3 MolecularWeight: 424.88014

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=O)N(N=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=O)N(N=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C22H21ClN4O3/c23-21-18(13-24-27(22(21)28)17-4-2-1-3-5-17)26-10-8-25(9-11-26)14-16-6-7-19-20(12-16)30-15-29-19/h1-7,12-13H,8-11,14-15H2