1-(4-fluorophenyl)carbonyl-3-quinazolin-4-ylsulfanyl-azepan-2-one

Systemtic Name: 1-(4-fluorophenyl)carbonyl-3-quinazolin-4-ylsulfanyl-azepan-2-one Openeye Name: 1-(4-fluorobenzoyl)-3-quinazolin-4-ylsulfanyl-azepan-2-one CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-3-(4-quinazolinylthio)-2-azepanone IUPAC Name: 1-(4-fluorobenzoyl)-3-quinazolin-4-ylsulfanylazepan-2-one Traditional Name: 1-(4-fluorobenzoyl)-3-(quinazolin-4-ylthio)azepan-2-one Formula: C21H18FN3O2S MolecularWeight: 395.449923

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)SC2=NC=NC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C(=O)C(C1)SC2=NC=NC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H18FN3O2S/c22-15-10-8-14(9-11-15)20(26)25-12-4-3-7-18(21(25)27)28-19-16-5-1-2-6-17(16)23-13-24-19/h1-2,5-6,8-11,13,18H,3-4,7,12H2