3-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-1-(4-fluorophenyl)carbonyl-azepan-2-one

Systemtic Name: 3-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-1-(4-fluorophenyl)carbonyl-azepan-2-one Openeye Name: 3-(1-amino-4-phenyl-imidazol-2-yl)sulfanyl-1-(4-fluorobenzoyl)azepan-2-one CAS Name: 3-[(1-amino-4-phenyl-2-imidazolyl)thio]-1-[(4-fluorophenyl)-oxomethyl]-2-azepanone IUPAC Name: 3-(1-amino-4-phenylimidazol-2-yl)sulfanyl-1-(4-fluorobenzoyl)azepan-2-one Traditional Name: 3-[(1-amino-4-phenyl-imidazol-2-yl)thio]-1-(4-fluorobenzoyl)azepan-2-one Formula: C22H21FN4O2S MolecularWeight: 424.491143

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)SC2=NC(=CN2N)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C(=O)C(C1)SC2=NC(=CN2N)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H21FN4O2S/c23-17-11-9-16(10-12-17)20(28)26-13-5-4-8-19(21(26)29)30-22-25-18(14-27(22)24)15-6-2-1-3-7-15/h1-3,6-7,9-12,14,19H,4-5,8,13,24H2