4-(5-ethanoylthiophen-3-yl)carbonyl-6-[(3-fluorophenyl)methoxy]-1-phenethyl-1,4-diazepan-2-one

Systemtic Name: 4-(5-ethanoylthiophen-3-yl)carbonyl-6-[(3-fluorophenyl)methoxy]-1-phenethyl-1,4-diazepan-2-one Openeye Name: 4-(5-acetylthiophene-3-carbonyl)-6-[(3-fluorophenyl)methoxy]-1-phenethyl-1,4-diazepan-2-one CAS Name: 4-[(5-acetyl-3-thiophenyl)-oxomethyl]-6-[(3-fluorophenyl)methoxy]-1-phenethyl-1,4-diazepan-2-one IUPAC Name: 4-(5-acetylthiophene-3-carbonyl)-6-[(3-fluorophenyl)methoxy]-1-phenethyl-1,4-diazepan-2-one Traditional Name: 4-(5-acetylthiophene-3-carbonyl)-6-(3-fluorobenzyl)oxy-1-phenethyl-1,4-diazepan-2-one Formula: C27H27FN2O4S MolecularWeight: 494.577683

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C(=O)N2CC(CN(C(=O)C2)CCC3=CC=CC=C3)OCC4=CC(=CC=C4)F

Isomeric SMILES

CC(=O)C1=CC(=CS1)C(=O)N2CC(CN(C(=O)C2)CCC3=CC=CC=C3)OCC4=CC(=CC=C4)F

InChI

InChI=1S/C27H27FN2O4S/c1-19(31)25-13-22(18-35-25)27(33)30-15-24(34-17-21-8-5-9-23(28)12-21)14-29(26(32)16-30)11-10-20-6-3-2-4-7-20/h2-9,12-13,18,24H,10-11,14-17H2,1H3