(phenylmethyl) 4-[3-(4-cyanophenoxy)propyl]-5-oxidanylidene-1,4-diazepane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[3-(4-cyanophenoxy)propyl]-5-oxidanylidene-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-[3-(4-cyanophenoxy)propyl]-5-oxo-1,4-diazepane-1-carboxylate CAS Name: 4-[3-(4-cyanophenoxy)propyl]-5-oxo-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[3-(4-cyanophenoxy)propyl]-5-oxo-1,4-diazepane-1-carboxylate Traditional Name: 4-[3-(4-cyanophenoxy)propyl]-5-keto-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)CCCOC2=CC=C(C=C2)C#N)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1=O)CCCOC2=CC=C(C=C2)C#N)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H25N3O4/c24-17-19-7-9-21(10-8-19)29-16-4-12-25-14-15-26(13-11-22(25)27)23(28)30-18-20-5-2-1-3-6-20/h1-3,5-10H,4,11-16,18H2