phenylmethoxymethyl 3-oxidanylidene-2-(pyrazol-1-ylmethyl)-1,4-diazepane-1-carboxylate

Systemtic Name: phenylmethoxymethyl 3-oxidanylidene-2-(pyrazol-1-ylmethyl)-1,4-diazepane-1-carboxylate Openeye Name: benzyloxymethyl 3-oxo-2-(pyrazol-1-ylmethyl)-1,4-diazepane-1-carboxylate CAS Name: 3-oxo-2-(1-pyrazolylmethyl)-1,4-diazepane-1-carboxylic acid phenylmethoxymethyl ester IUPAC Name: phenylmethoxymethyl 3-oxo-2-(pyrazol-1-ylmethyl)-1,4-diazepane-1-carboxylate Traditional Name: 3-keto-2-(pyrazol-1-ylmethyl)-1,4-diazepane-1-carboxylic acid benzoxymethyl ester Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C(N(C1)C(=O)OCOCC2=CC=CC=C2)CN3C=CC=N3

Isomeric SMILES

C1CNC(=O)C(N(C1)C(=O)OCOCC2=CC=CC=C2)CN3C=CC=N3

InChI

InChI=1S/C18H22N4O4/c23-17-16(12-21-10-5-9-20-21)22(11-4-8-19-17)18(24)26-14-25-13-15-6-2-1-3-7-15/h1-3,5-7,9-10,16H,4,8,11-14H2,(H,19,23)