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

Systemtic Name: (7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl 1,2-oxazole-3-carboxylate Openeye Name: (7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl isoxazole-3-carboxylate CAS Name: 3-isoxazolecarboxylic acid (7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl ester IUPAC Name: (7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl 1,2-oxazole-3-carboxylate Traditional Name: isoxazole-3-carboxylic acid (7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl ester Formula: C11H15N3O3 MolecularWeight: 237.2551

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NC(C1)COC(=O)C2=NOC=C2)N

Isomeric SMILES

C1CCC(=NC(C1)COC(=O)C2=NOC=C2)N

InChI

InChI=1S/C11H15N3O3/c12-10-4-2-1-3-8(13-10)7-16-11(15)9-5-6-17-14-9/h5-6,8H,1-4,7H2,(H2,12,13)