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

Systemtic Name: 2-[[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]methyl]-4-(4-methylphenyl)phthalazin-1-one Openeye Name: 2-[[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]methyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 2-[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]methyl]-4-(4-methylphenyl)-1-phthalazinone IUPAC Name: 2-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-4-(4-methylphenyl)phthalazin-1-one Traditional Name: 2-[[4-[(5-chloro-2-thienyl)methyl]piperazino]methyl]-4-(p-tolyl)phthalazin-1-one Formula: C25H25ClN4OS MolecularWeight: 465.0102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CN4CCN(CC4)CC5=CC=C(S5)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CN4CCN(CC4)CC5=CC=C(S5)Cl

InChI

InChI=1S/C25H25ClN4OS/c1-18-6-8-19(9-7-18)24-21-4-2-3-5-22(21)25(31)30(27-24)17-29-14-12-28(13-15-29)16-20-10-11-23(26)32-20/h2-11H,12-17H2,1H3