2-[[4-(2,4-dichlorophenyl)carbonylpiperazin-1-yl]methyl]-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-[[4-(2,4-dichlorophenyl)carbonylpiperazin-1-yl]methyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[[4-[(2,4-dichlorophenyl)-oxomethyl]-1-piperazinyl]methyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[[4-(2,4-dichlorobenzoyl)piperazino]methyl]-4-(2-thienyl)phthalazin-1-one Formula: C24H20Cl2N4O2S MolecularWeight: 499.4122

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)C(=O)C5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

C1CN(CCN1CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CS4)C(=O)C5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C24H20Cl2N4O2S/c25-16-7-8-19(20(26)14-16)23(31)29-11-9-28(10-12-29)15-30-24(32)18-5-2-1-4-17(18)22(27-30)21-6-3-13-33-21/h1-8,13-14H,9-12,15H2