2-[[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]methyl]phthalazin-1-one

Systemtic Name: 2-[[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-[(5-phenyl-2-thienyl)methyl]piperazin-1-yl]methyl]phthalazin-1-one CAS Name: 2-[[4-[(5-phenyl-2-thiophenyl)methyl]-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 2-[[4-[(5-phenylthiophen-2-yl)methyl]piperazin-1-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-[(5-phenyl-2-thienyl)methyl]piperazino]methyl]phthalazin-1-one Formula: C24H24N4OS MolecularWeight: 416.53856

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)C3=CC=CC=C3)CN4C(=O)C5=CC=CC=C5C=N4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)C3=CC=CC=C3)CN4C(=O)C5=CC=CC=C5C=N4

InChI

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