2-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[[4-(1,3-benzoxazol-2-yl)-1-piperidyl]methyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]methyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[[4-(1,3-benzoxazol-2-yl)piperidino]methyl]-4-(2-thienyl)phthalazin-1-one Formula: C25H22N4O2S MolecularWeight: 442.53278

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3O2)CN4C(=O)C5=CC=CC=C5C(=N4)C6=CC=CS6

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3O2)CN4C(=O)C5=CC=CC=C5C(=N4)C6=CC=CS6

InChI

InChI=1S/C25H22N4O2S/c30-25-19-7-2-1-6-18(19)23(22-10-5-15-32-22)27-29(25)16-28-13-11-17(12-14-28)24-26-20-8-3-4-9-21(20)31-24/h1-10,15,17H,11-14,16H2