1-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one

Systemtic Name: 1-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one Openeye Name: 1-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one CAS Name: 1-[4-[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]-1-piperazinyl]-3-(4-methoxyphenyl)-1-propanone IUPAC Name: 1-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one Traditional Name: 1-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazino]-3-(4-methoxyphenyl)propan-1-one Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C3=NN=C(C=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)C3=NN=C(C=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H26N4O4/c1-31-20-6-2-18(3-7-20)4-11-25(30)29-14-12-28(13-15-29)24-10-8-21(26-27-24)19-5-9-22-23(16-19)33-17-32-22/h2-3,5-10,16H,4,11-15,17H2,1H3