2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[(4-piperonylpiperazino)methyl]-4-(2-thienyl)phthalazin-1-one Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CN4C(=O)C5=CC=CC=C5C(=N4)C6=CC=CS6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CN4C(=O)C5=CC=CC=C5C(=N4)C6=CC=CS6

InChI

InChI=1S/C25H24N4O3S/c30-25-20-5-2-1-4-19(20)24(23-6-3-13-33-23)26-29(25)16-28-11-9-27(10-12-28)15-18-7-8-21-22(14-18)32-17-31-21/h1-8,13-14H,9-12,15-17H2