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

Systemtic Name: 2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[2-(4-benzylpiperidino)-2-keto-ethyl]-4-(2-thienyl)phthalazin-1-one Formula: C26H25N3O2S MolecularWeight: 443.5606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O2S/c30-24(28-14-12-20(13-15-28)17-19-7-2-1-3-8-19)18-29-26(31)22-10-5-4-9-21(22)25(27-29)23-11-6-16-32-23/h1-11,16,20H,12-15,17-18H2