4-(2-fluorophenyl)carbonyl-N-[(4-methylphenyl)methyl]-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(2-fluorophenyl)carbonyl-N-[(4-methylphenyl)methyl]-1,4-diazepane-1-carboxamide Openeye Name: 4-(2-fluorobenzoyl)-N-(p-tolylmethyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[(2-fluorophenyl)-oxomethyl]-N-[(4-methylphenyl)methyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(2-fluorobenzoyl)-N-[(4-methylphenyl)methyl]-1,4-diazepane-1-carboxamide Traditional Name: 4-(2-fluorobenzoyl)-N-(4-methylbenzyl)-1,4-diazepane-1-carboxamide Formula: C21H24FN3O2 MolecularWeight: 369.432563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)N2CCCN(CC2)C(=O)C3=CC=CC=C3F

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)N2CCCN(CC2)C(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H24FN3O2/c1-16-7-9-17(10-8-16)15-23-21(27)25-12-4-11-24(13-14-25)20(26)18-5-2-3-6-19(18)22/h2-3,5-10H,4,11-15H2,1H3,(H,23,27)