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

Systemtic Name: 4-(4-chlorophenyl)-2-[2-nitro-5-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]phthalazin-1-one Openeye Name: 4-(4-chlorophenyl)-2-[2-nitro-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]phthalazin-1-one CAS Name: 4-(4-chlorophenyl)-2-[2-nitro-5-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]phenyl]-1-phthalazinone IUPAC Name: 4-(4-chlorophenyl)-2-[2-nitro-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]phthalazin-1-one Traditional Name: 4-(4-chlorophenyl)-2-[2-nitro-5-[4-(2-thenoyl)piperazino]phenyl]phthalazin-1-one Formula: C29H22ClN5O4S MolecularWeight: 572.03408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)Cl)C(=O)C6=CC=CS6

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=C(C=C5)Cl)C(=O)C6=CC=CS6

InChI

InChI=1S/C29H22ClN5O4S/c30-20-9-7-19(8-10-20)27-22-4-1-2-5-23(22)28(36)34(31-27)25-18-21(11-12-24(25)35(38)39)32-13-15-33(16-14-32)29(37)26-6-3-17-40-26/h1-12,17-18H,13-16H2