(phenylmethyl) 4-(5-azanylpyridin-2-yl)-1,4-diazepane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(5-azanylpyridin-2-yl)-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-(5-amino-2-pyridyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(5-amino-2-pyridinyl)-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(5-aminopyridin-2-yl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(5-amino-2-pyridyl)-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C18H22N4O2 MolecularWeight: 326.39288

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2)C3=NC=C(C=C3)N

Isomeric SMILES

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2)C3=NC=C(C=C3)N

InChI

InChI=1S/C18H22N4O2/c19-16-7-8-17(20-13-16)21-9-4-10-22(12-11-21)18(23)24-14-15-5-2-1-3-6-15/h1-3,5-8,13H,4,9-12,14,19H2