N-(4-chlorophenyl)-2-(4-piperidin-1-ylphthalazin-1-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-chlorophenyl)-2-(4-piperidin-1-ylphthalazin-1-yl)sulfanyl-ethanamide Openeye Name: N-(4-chlorophenyl)-2-[4-(1-piperidyl)phthalazin-1-yl]sulfanyl-acetamide CAS Name: N-(4-chlorophenyl)-2-[[4-(1-piperidinyl)-1-phthalazinyl]thio]acetamide IUPAC Name: N-(4-chlorophenyl)-2-(4-piperidin-1-ylphthalazin-1-yl)sulfanylacetamide Traditional Name: N-(4-chlorophenyl)-2-[(4-piperidinophthalazin-1-yl)thio]acetamide Formula: C21H21ClN4OS MolecularWeight: 412.93564

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(C3=CC=CC=C32)SCC(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(CC1)C2=NN=C(C3=CC=CC=C32)SCC(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H21ClN4OS/c22-15-8-10-16(11-9-15)23-19(27)14-28-21-18-7-3-2-6-17(18)20(24-25-21)26-12-4-1-5-13-26/h2-3,6-11H,1,4-5,12-14H2,(H,23,27)