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

Systemtic Name: 2-[[4-(phenylmethyl)piperidin-1-yl]methyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[(4-benzyl-1-piperidyl)methyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[[4-(phenylmethyl)-1-piperidinyl]methyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[(4-benzylpiperidin-1-yl)methyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[(4-benzylpiperidino)methyl]-4-(2-thienyl)phthalazin-1-one Formula: C25H25N3OS MolecularWeight: 415.5505

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5

InChI

InChI=1S/C25H25N3OS/c29-25-22-10-5-4-9-21(22)24(23-11-6-16-30-23)26-28(25)18-27-14-12-20(13-15-27)17-19-7-2-1-3-8-19/h1-11,16,20H,12-15,17-18H2