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

Systemtic Name: 1-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-4-phenyl-butan-1-one Openeye Name: 1-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-4-phenyl-butan-1-one CAS Name: 1-[4-[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]-1-piperazinyl]-4-phenyl-1-butanone IUPAC Name: 1-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutan-1-one Traditional Name: 1-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazino]-4-phenyl-butan-1-one Formula: C25H26N4O3 MolecularWeight: 430.49894

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4)C(=O)CCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4)C(=O)CCCC5=CC=CC=C5

InChI

InChI=1S/C25H26N4O3/c30-25(8-4-7-19-5-2-1-3-6-19)29-15-13-28(14-16-29)24-12-10-21(26-27-24)20-9-11-22-23(17-20)32-18-31-22/h1-3,5-6,9-12,17H,4,7-8,13-16,18H2