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

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-chloranyl-2-(phenylmethyl)pyridazin-3-one Openeye Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-benzyl-4-chloro-pyridazin-3-one CAS Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-chloro-2-(phenylmethyl)-3-pyridazinone IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-benzyl-4-chloropyridazin-3-one Traditional Name: 2-benzyl-4-chloro-5-(4-piperonylpiperazino)pyridazin-3-one Formula: C23H23ClN4O3 MolecularWeight: 438.90672

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=O)N(N=C4)CC5=CC=CC=C5)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=O)N(N=C4)CC5=CC=CC=C5)Cl

InChI

InChI=1S/C23H23ClN4O3/c24-22-19(13-25-28(23(22)29)15-17-4-2-1-3-5-17)27-10-8-26(9-11-27)14-18-6-7-20-21(12-18)31-16-30-20/h1-7,12-13H,8-11,14-16H2