2-(1H-benzimidazol-2-yl)-5-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-4-chloranyl-pyridazin-3-one

Systemtic Name: 2-(1H-benzimidazol-2-yl)-5-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-4-chloranyl-pyridazin-3-one Openeye Name: 2-(1H-benzimidazol-2-yl)-5-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-4-chloro-pyridazin-3-one CAS Name: 2-(1H-benzimidazol-2-yl)-5-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-4-chloro-3-pyridazinone IUPAC Name: 2-(1H-benzimidazol-2-yl)-5-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-4-chloropyridazin-3-one Traditional Name: 2-(1H-benzimidazol-2-yl)-4-chloro-5-[methyl(piperonyl)amino]pyridazin-3-one Formula: C20H16ClN5O3 MolecularWeight: 409.82574

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCO2)C3=C(C(=O)N(N=C3)C4=NC5=CC=CC=C5N4)Cl

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCO2)C3=C(C(=O)N(N=C3)C4=NC5=CC=CC=C5N4)Cl

InChI

InChI=1S/C20H16ClN5O3/c1-25(10-12-6-7-16-17(8-12)29-11-28-16)15-9-22-26(19(27)18(15)21)20-23-13-4-2-3-5-14(13)24-20/h2-9H,10-11H2,1H3,(H,23,24)