1-[(2S)-2-azanyl-2-(1,3-benzodioxol-5-yl)ethyl]azepan-2-one

Systemtic Name: 1-[(2S)-2-azanyl-2-(1,3-benzodioxol-5-yl)ethyl]azepan-2-one Openeye Name: 1-[(2S)-2-amino-2-(1,3-benzodioxol-5-yl)ethyl]azepan-2-one CAS Name: 1-[(2S)-2-amino-2-(1,3-benzodioxol-5-yl)ethyl]-2-azepanone IUPAC Name: 1-[(2S)-2-amino-2-(1,3-benzodioxol-5-yl)ethyl]azepan-2-one Traditional Name: 1-[(2S)-2-amino-2-(1,3-benzodioxol-5-yl)ethyl]azepan-2-one Formula: C15H20N2O3 MolecularWeight: 276.3309

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC(C2=CC3=C(C=C2)OCO3)N

Isomeric SMILES

C1CCC(=O)N(CC1)C[C@H](C2=CC3=C(C=C2)OCO3)N

InChI

InChI=1S/C15H20N2O3/c16-12(9-17-7-3-1-2-4-15(17)18)11-5-6-13-14(8-11)20-10-19-13/h5-6,8,12H,1-4,7,9-10,16H2/t12-/m1/s1