N-tert-butyl-2-[4-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylethanoyl]piperazin-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylethanoyl]piperazin-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]piperazin-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]-1-oxoethyl]-1-piperazinyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]piperazin-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]acetyl]piperazino]acetamide Formula: C26H30FN5O2S MolecularWeight: 495.612103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCN(CC1)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCN(CC1)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H30FN5O2S/c1-26(2,3)28-22(33)16-31-12-14-32(15-13-31)23(34)17-35-25-21-7-5-4-6-20(21)24(29-30-25)18-8-10-19(27)11-9-18/h4-11H,12-17H2,1-3H3,(H,28,33)