4-methyl-2-[2-nitro-5-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]phthalazin-1-one

Systemtic Name: 4-methyl-2-[2-nitro-5-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]phthalazin-1-one Openeye Name: 4-methyl-2-[2-nitro-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]phthalazin-1-one CAS Name: 4-methyl-2-[2-nitro-5-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]phenyl]-1-phthalazinone IUPAC Name: 4-methyl-2-[2-nitro-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]phthalazin-1-one Traditional Name: 4-methyl-2-[2-nitro-5-[4-(2-thenoyl)piperazino]phenyl]phthalazin-1-one Formula: C24H21N5O4S MolecularWeight: 475.51964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)C5=CC=CS5)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)C5=CC=CS5)[N+](=O)[O-]

InChI

InChI=1S/C24H21N5O4S/c1-16-18-5-2-3-6-19(18)23(30)28(25-16)21-15-17(8-9-20(21)29(32)33)26-10-12-27(13-11-26)24(31)22-7-4-14-34-22/h2-9,14-15H,10-13H2,1H3