4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]-N-(3-chloranyl-4-methyl-phenyl)piperazine-1-carboxamide

Systemtic Name: 4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]-N-(3-chloranyl-4-methyl-phenyl)piperazine-1-carboxamide Openeye Name: 4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]-N-(3-chloro-4-methyl-phenyl)piperazine-1-carboxamide CAS Name: 4-[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]-N-(3-chloro-4-methylphenyl)-1-piperazinecarboxamide IUPAC Name: 4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide Traditional Name: 4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]-N-(3-chloro-4-methyl-phenyl)piperazine-1-carboxamide Formula: C23H22ClN5O3 MolecularWeight: 451.90548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)C3=NN=C(C=C3)C4=CC5=C(C=C4)OCO5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)C3=NN=C(C=C3)C4=CC5=C(C=C4)OCO5)Cl

InChI

InChI=1S/C23H22ClN5O3/c1-15-2-4-17(13-18(15)24)25-23(30)29-10-8-28(9-11-29)22-7-5-19(26-27-22)16-3-6-20-21(12-16)32-14-31-20/h2-7,12-13H,8-11,14H2,1H3,(H,25,30)