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

Systemtic Name: 4-[(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]-6-(hydroxymethyl)oxan-2-one Openeye Name: 4-[(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]-6-(hydroxymethyl)tetrahydropyran-2-one CAS Name: 4-[(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]-6-(hydroxymethyl)-2-oxanone IUPAC Name: 4-[(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]-6-(hydroxymethyl)oxan-2-one Traditional Name: 4-[(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)methyl]-6-methylol-tetrahydropyran-2-one Formula: C13H22N2O3 MolecularWeight: 254.32538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N2O3/c14-12-4-2-1-3-10(15-12)5-9-6-11(8-16)18-13(17)7-9/h9-11,16H,1-8H2,(H2,14,15)