(phenylmethyl) 4-[(4-fluorophenyl)carbonylamino]-1,4-diazepane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[(4-fluorophenyl)carbonylamino]-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-[(4-fluorobenzoyl)amino]-1,4-diazepane-1-carboxylate CAS Name: 4-[[(4-fluorophenyl)-oxomethyl]amino]-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(4-fluorobenzoyl)amino]-1,4-diazepane-1-carboxylate Traditional Name: 4-[(4-fluorobenzoyl)amino]-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C20H22FN3O3 MolecularWeight: 371.405383

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)NC(=O)C2=CC=C(C=C2)F)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)NC(=O)C2=CC=C(C=C2)F)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H22FN3O3/c21-18-9-7-17(8-10-18)19(25)22-24-12-4-11-23(13-14-24)20(26)27-15-16-5-2-1-3-6-16/h1-3,5-10H,4,11-15H2,(H,22,25)