2-[[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]methyl]-4-thiophen-2-yl-phthalazin-1-one

Systemtic Name: 2-[[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]methyl]-4-thiophen-2-yl-phthalazin-1-one Openeye Name: 2-[[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]methyl]-4-(2-thienyl)phthalazin-1-one CAS Name: 2-[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]methyl]-4-thiophen-2-yl-1-phthalazinone IUPAC Name: 2-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-4-thiophen-2-ylphthalazin-1-one Traditional Name: 2-[[4-[(5-chloro-2-thienyl)methyl]piperazino]methyl]-4-(2-thienyl)phthalazin-1-one Formula: C22H21ClN4OS2 MolecularWeight: 457.01134

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)Cl)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)Cl)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5

InChI

InChI=1S/C22H21ClN4OS2/c23-20-8-7-16(30-20)14-25-9-11-26(12-10-25)15-27-22(28)18-5-2-1-4-17(18)21(24-27)19-6-3-13-29-19/h1-8,13H,9-12,14-15H2