N-(4-ethanoylphenyl)-2-[4-(4-fluorophenyl)carbonyl-1,4-diazepan-1-yl]propanamide

Systemtic Name: N-(4-ethanoylphenyl)-2-[4-(4-fluorophenyl)carbonyl-1,4-diazepan-1-yl]propanamide Openeye Name: N-(4-acetylphenyl)-2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]propanamide CAS Name: N-(4-acetylphenyl)-2-[4-[(4-fluorophenyl)-oxomethyl]-1,4-diazepan-1-yl]propanamide IUPAC Name: N-(4-acetylphenyl)-2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]propanamide Traditional Name: N-(4-acetylphenyl)-2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]propionamide Formula: C23H26FN3O3 MolecularWeight: 411.469243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)N2CCCN(CC2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)N2CCCN(CC2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H26FN3O3/c1-16(22(29)25-21-10-6-18(7-11-21)17(2)28)26-12-3-13-27(15-14-26)23(30)19-4-8-20(24)9-5-19/h4-11,16H,3,12-15H2,1-2H3,(H,25,29)