(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-6-yl)methyl 4,5-dihydro-1,2-oxazole-3-carboxylate

Systemtic Name: (7-azanyl-3,4,5,6-tetrahydro-2H-azepin-6-yl)methyl 4,5-dihydro-1,2-oxazole-3-carboxylate Openeye Name: (7-amino-3,4,5,6-tetrahydro-2H-azepin-6-yl)methyl 4,5-dihydroisoxazole-3-carboxylate CAS Name: 4,5-dihydroisoxazole-3-carboxylic acid (7-amino-3,4,5,6-tetrahydro-2H-azepin-6-yl)methyl ester IUPAC Name: (7-amino-3,4,5,6-tetrahydro-2H-azepin-6-yl)methyl 4,5-dihydro-1,2-oxazole-3-carboxylate Traditional Name: 2-isoxazoline-3-carboxylic acid (7-amino-3,4,5,6-tetrahydro-2H-azepin-6-yl)methyl ester Formula: C11H17N3O3 MolecularWeight: 239.27098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C(C(C1)COC(=O)C2=NOCC2)N

Isomeric SMILES

C1CCN=C(C(C1)COC(=O)C2=NOCC2)N

InChI

InChI=1S/C11H17N3O3/c12-10-8(3-1-2-5-13-10)7-16-11(15)9-4-6-17-14-9/h8H,1-7H2,(H2,12,13)