4-[(4-cyanophenyl)methyl]-N-(2-fluorophenyl)-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: 4-[(4-cyanophenyl)methyl]-N-(2-fluorophenyl)-1,4-diazepan-4-ium-1-carboxamide Openeye Name: 4-[(4-cyanophenyl)methyl]-N-(2-fluorophenyl)-1,4-diazepan-4-ium-1-carboxamide CAS Name: 4-[(4-cyanophenyl)methyl]-N-(2-fluorophenyl)-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: 4-[(4-cyanophenyl)methyl]-N-(2-fluorophenyl)-1,4-diazepan-4-ium-1-carboxamide Traditional Name: 4-(4-cyanobenzyl)-N-(2-fluorophenyl)-1,4-diazepan-4-ium-1-carboxamide Formula: C20H22FN4O+ MolecularWeight: 353.413283

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)NC2=CC=CC=C2F)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)NC2=CC=CC=C2F)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H21FN4O/c21-18-4-1-2-5-19(18)23-20(26)25-11-3-10-24(12-13-25)15-17-8-6-16(14-22)7-9-17/h1-2,4-9H,3,10-13,15H2,(H,23,26)/p+1