N,N-dicyclohexyl-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanamide

Systemtic Name: N,N-dicyclohexyl-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanamide Openeye Name: N,N-dicyclohexyl-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-acetamide CAS Name: N,N-dicyclohexyl-2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]acetamide IUPAC Name: N,N-dicyclohexyl-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetamide Traditional Name: N,N-dicyclohexyl-2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]acetamide Formula: C28H32FN3OS MolecularWeight: 477.636583

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCCCC2)C(=O)CSC3=NN=C(C4=CC=CC=C43)C5=CC=C(C=C5)F

Isomeric SMILES

C1CCC(CC1)N(C2CCCCC2)C(=O)CSC3=NN=C(C4=CC=CC=C43)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H32FN3OS/c29-21-17-15-20(16-18-21)27-24-13-7-8-14-25(24)28(31-30-27)34-19-26(33)32(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h7-8,13-18,22-23H,1-6,9-12,19H2