4-fluoranyl-2-(1-phenylazanylpropyl)benzamide; 4-iodanyl-1-azabicyclo[2.2.0]hexa-2,5-diene

Systemtic Name: 4-fluoranyl-2-(1-phenylazanylpropyl)benzamide; 4-iodanyl-1-azabicyclo[2.2.0]hexa-2,5-diene Openeye Name: 2-(1-anilinopropyl)-4-fluoro-benzamide; 4-iodo-1-azabicyclo[2.2.0]hexa-2,5-diene CAS Name: 2-(1-anilinopropyl)-4-fluorobenzamide; 4-iodo-1-azabicyclo[2.2.0]hexa-2,5-diene IUPAC Name: 2-(1-anilinopropyl)-4-fluorobenzamide; 4-iodo-1-azabicyclo[2.2.0]hexa-2,5-diene Traditional Name: 2-(1-anilinopropyl)-4-fluoro-benzamide; 4-iodo-1-azabicyclo[2.2.0]hexa-2,5-diene Formula: C21H21FIN3O MolecularWeight: 477.313813

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=CC(=C1)F)C(=O)N)NC2=CC=CC=C2.C1=CN2C1(C=C2)I

Isomeric SMILES

CCC(C1=C(C=CC(=C1)F)C(=O)N)NC2=CC=CC=C2.C1=CN2C1(C=C2)I

InChI

InChI=1S/C16H17FN2O.C5H4IN/c1-2-15(19-12-6-4-3-5-7-12)14-10-11(17)8-9-13(14)16(18)20;6-5-1-3-7(5)4-2-5/h3-10,15,19H,2H2,1H3,(H2,18,20);1-4H