6-[(1S)-1-azanylethyl]-4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-1,4-benzoxazin-3-one

Systemtic Name: 6-[(1S)-1-azanylethyl]-4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)-1,4-benzoxazin-3-one Openeye Name: 6-[(1S)-1-aminoethyl]-4-[2-oxo-2-(1-piperidyl)ethyl]-1,4-benzoxazin-3-one CAS Name: 6-[(1S)-1-aminoethyl]-4-[2-oxo-2-(1-piperidinyl)ethyl]-1,4-benzoxazin-3-one IUPAC Name: 6-[(1S)-1-aminoethyl]-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one Traditional Name: 6-[(1S)-1-aminoethyl]-4-(2-keto-2-piperidino-ethyl)-1,4-benzoxazin-3-one Formula: C17H23N3O3 MolecularWeight: 317.38282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCC(=O)N2CC(=O)N3CCCCC3)N

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)OCC(=O)N2CC(=O)N3CCCCC3)N

InChI

InChI=1S/C17H23N3O3/c1-12(18)13-5-6-15-14(9-13)20(17(22)11-23-15)10-16(21)19-7-3-2-4-8-19/h5-6,9,12H,2-4,7-8,10-11,18H2,1H3/t12-/m0/s1