(2R)-N-(cyclohexylmethyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-propanamide

Systemtic Name: (2R)-N-(cyclohexylmethyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-propanamide Openeye Name: (2R)-N-(cyclohexylmethyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-propanamide CAS Name: (2R)-N-(cyclohexylmethyl)-2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]propanamide IUPAC Name: (2R)-N-(cyclohexylmethyl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylpropanamide Traditional Name: (2R)-N-(cyclohexylmethyl)-2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]propionamide Formula: C24H26FN3OS MolecularWeight: 423.546143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCCC1)SC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

C[C@H](C(=O)NCC1CCCCC1)SC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H26FN3OS/c1-16(23(29)26-15-17-7-3-2-4-8-17)30-24-21-10-6-5-9-20(21)22(27-28-24)18-11-13-19(25)14-12-18/h5-6,9-14,16-17H,2-4,7-8,15H2,1H3,(H,26,29)/t16-/m1/s1