1-(azepan-1-yl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[4-(4-fluorophenyl)-1-phthalazinyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[4-(4-fluorophenyl)phthalazin-1-yl]thio]ethanone Formula: C22H22FN3OS MolecularWeight: 395.492983

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H22FN3OS/c23-17-11-9-16(10-12-17)21-18-7-3-4-8-19(18)22(25-24-21)28-15-20(27)26-13-5-1-2-6-14-26/h3-4,7-12H,1-2,5-6,13-15H2