(phenylmethyl) 4-[5-(2-phenoxyethanoylamino)pyridin-2-yl]-1,4-diazepane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[5-(2-phenoxyethanoylamino)pyridin-2-yl]-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-[5-[(2-phenoxyacetyl)amino]-2-pyridyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[5-[(1-oxo-2-phenoxyethyl)amino]-2-pyridinyl]-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[5-[(2-phenoxyacetyl)amino]pyridin-2-yl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[5-[(2-phenoxyacetyl)amino]-2-pyridyl]-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C26H28N4O4 MolecularWeight: 460.52492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2)C3=NC=C(C=C3)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2)C3=NC=C(C=C3)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C26H28N4O4/c31-25(20-33-23-10-5-2-6-11-23)28-22-12-13-24(27-18-22)29-14-7-15-30(17-16-29)26(32)34-19-21-8-3-1-4-9-21/h1-6,8-13,18H,7,14-17,19-20H2,(H,28,31)