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

Systemtic Name: 6-[(1S)-1-azanylpropyl]-4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1,4-benzoxazin-3-one Openeye Name: 6-[(1S)-1-aminopropyl]-4-[2-(azepan-1-yl)-2-oxo-ethyl]-1,4-benzoxazin-3-one CAS Name: 6-[(1S)-1-aminopropyl]-4-[2-(1-azepanyl)-2-oxoethyl]-1,4-benzoxazin-3-one IUPAC Name: 6-[(1S)-1-aminopropyl]-4-[2-(azepan-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one Traditional Name: 6-[(1S)-1-aminopropyl]-4-[2-(azepan-1-yl)-2-keto-ethyl]-1,4-benzoxazin-3-one Formula: C19H27N3O3 MolecularWeight: 345.43598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(C=C1)OCC(=O)N2CC(=O)N3CCCCCC3)N

Isomeric SMILES

CC[C@@H](C1=CC2=C(C=C1)OCC(=O)N2CC(=O)N3CCCCCC3)N

InChI

InChI=1S/C19H27N3O3/c1-2-15(20)14-7-8-17-16(11-14)22(19(24)13-25-17)12-18(23)21-9-5-3-4-6-10-21/h7-8,11,15H,2-6,9-10,12-13,20H2,1H3/t15-/m0/s1