1-(azepan-1-yl)-2-[2-(4-fluorophenyl)-8-methyl-quinazolin-4-yl]sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[2-(4-fluorophenyl)-8-methyl-quinazolin-4-yl]sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[2-(4-fluorophenyl)-8-methyl-quinazolin-4-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[2-(4-fluorophenyl)-8-methyl-4-quinazolinyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[2-(4-fluorophenyl)-8-methylquinazolin-4-yl]sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[2-(4-fluorophenyl)-8-methyl-quinazolin-4-yl]thio]ethanone Formula: C23H24FN3OS MolecularWeight: 409.519563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(N=C2SCC(=O)N3CCCCCC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=CC2=C1N=C(N=C2SCC(=O)N3CCCCCC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H24FN3OS/c1-16-7-6-8-19-21(16)25-22(17-9-11-18(24)12-10-17)26-23(19)29-15-20(28)27-13-4-2-3-5-14-27/h6-12H,2-5,13-15H2,1H3