2-[[4-(phenylmethyl)piperazin-1-yl]methyl]-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-[[4-(phenylmethyl)piperazin-1-yl]methyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[(4-benzylpiperazin-1-yl)methyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[[4-(phenylmethyl)-1-piperazinyl]methyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[(4-benzylpiperazin-1-yl)methyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[(4-benzylpiperazino)methyl]-4-(2-thienyl)phthalazin-1-one Formula: C24H24N4OS MolecularWeight: 416.53856

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5

InChI

InChI=1S/C24H24N4OS/c29-24-21-10-5-4-9-20(21)23(22-11-6-16-30-22)25-28(24)18-27-14-12-26(13-15-27)17-19-7-2-1-3-8-19/h1-11,16H,12-15,17-18H2