(phenylmethyl) 4-(4-aminophenyl)-5-oxidanylidene-1,4-diazepane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(4-aminophenyl)-5-oxidanylidene-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-(4-aminophenyl)-5-oxo-1,4-diazepane-1-carboxylate CAS Name: 4-(4-aminophenyl)-5-oxo-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(4-aminophenyl)-5-oxo-1,4-diazepane-1-carboxylate Traditional Name: 4-(4-aminophenyl)-5-keto-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C19H21N3O3 MolecularWeight: 339.38834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O3/c20-16-6-8-17(9-7-16)22-13-12-21(11-10-18(22)23)19(24)25-14-15-4-2-1-3-5-15/h1-9H,10-14,20H2