4-[2-[4-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-[4-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-[4-[4-(2-nitrophenyl)thiazol-2-yl]-1-piperidyl]-2-oxo-ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-[4-[4-(2-nitrophenyl)-2-thiazolyl]-1-piperidinyl]-2-oxoethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-[4-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-keto-2-[4-[4-(2-nitrophenyl)thiazol-2-yl]piperidino]ethyl]-2H-phthalazin-1-one Formula: C24H21N5O4S MolecularWeight: 475.51964

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC(=CS2)C3=CC=CC=C3[N+](=O)[O-])C(=O)CC4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1CN(CCC1C2=NC(=CS2)C3=CC=CC=C3[N+](=O)[O-])C(=O)CC4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C24H21N5O4S/c30-22(13-19-16-5-1-2-6-17(16)23(31)27-26-19)28-11-9-15(10-12-28)24-25-20(14-34-24)18-7-3-4-8-21(18)29(32)33/h1-8,14-15H,9-13H2,(H,27,31)