2-[4-(4-fluorophenyl)carbonyl-1,4-diazepan-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide

Systemtic Name: 2-[4-(4-fluorophenyl)carbonyl-1,4-diazepan-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)ethanamide Openeye Name: 2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide CAS Name: 2-[4-[(4-fluorophenyl)-oxomethyl]-1,4-diazepan-1-ium-1-yl]-N-(5-methyl-3-isoxazolyl)acetamide IUPAC Name: 2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide Traditional Name: 2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)acetamide Formula: C18H22FN4O3+ MolecularWeight: 361.390683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C[NH+]2CCCN(CC2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[NH+]2CCCN(CC2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H21FN4O3/c1-13-11-16(21-26-13)20-17(24)12-22-7-2-8-23(10-9-22)18(25)14-3-5-15(19)6-4-14/h3-6,11H,2,7-10,12H2,1H3,(H,20,21,24)/p+1