(phenylmethyl) 2-[4-(2,1,3-benzoxadiazol-5-ylcarbonyl)-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-(2,1,3-benzoxadiazol-5-ylcarbonyl)-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-(2,1,3-benzoxadiazole-5-carbonyl)-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[2,1,3-benzoxadiazol-5-yl(oxo)methyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(2,1,3-benzoxadiazole-5-carbonyl)-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-(benzofurazan-5-carbonyl)-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC3=NON=C3C=C2)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC3=NON=C3C=C2)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O4/c26-20(28-15-16-5-2-1-3-6-16)14-24-9-4-10-25(12-11-24)21(27)17-7-8-18-19(13-17)23-29-22-18/h1-3,5-8,13H,4,9-12,14-15H2