4-[(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]-6-oxidanyl-oxan-2-one

Systemtic Name: 4-[(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]-6-oxidanyl-oxan-2-one Openeye Name: 4-[(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]-6-hydroxy-tetrahydropyran-2-one CAS Name: 4-[(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]-6-hydroxy-2-oxanone IUPAC Name: 4-[(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]-6-hydroxyoxan-2-one Traditional Name: 4-[(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]-6-hydroxy-tetrahydropyran-2-one Formula: C12H20N2O3 MolecularWeight: 240.2988

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NC(C1)CC2CC(OC(=O)C2)O)N

Isomeric SMILES

C1CCC(=NC(C1)CC2CC(OC(=O)C2)O)N

InChI

InChI=1S/C12H20N2O3/c13-10-4-2-1-3-9(14-10)5-8-6-11(15)17-12(16)7-8/h8-9,11,15H,1-7H2,(H2,13,14)