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

Systemtic Name: 2-[1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[2-(4-benzyl-1-piperidyl)-1-methyl-2-oxo-ethyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[1-oxo-1-[4-(phenylmethyl)-1-piperidinyl]propan-2-yl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[2-(4-benzylpiperidino)-2-keto-1-methyl-ethyl]-4-(2-thienyl)phthalazin-1-one Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5

Isomeric SMILES

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5

InChI

InChI=1S/C27H27N3O2S/c1-19(26(31)29-15-13-21(14-16-29)18-20-8-3-2-4-9-20)30-27(32)23-11-6-5-10-22(23)25(28-30)24-12-7-17-33-24/h2-12,17,19,21H,13-16,18H2,1H3