2-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]methyl]-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]methyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]methyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]methyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]methyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[[4-(4-chloro-2-nitro-phenyl)piperazino]methyl]-4-(2-thienyl)phthalazin-1-one Formula: C23H20ClN5O3S MolecularWeight: 481.9546

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)C5=C(C=C(C=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)C5=C(C=C(C=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H20ClN5O3S/c24-16-7-8-19(20(14-16)29(31)32)27-11-9-26(10-12-27)15-28-23(30)18-5-2-1-4-17(18)22(25-28)21-6-3-13-33-21/h1-8,13-14H,9-12,15H2