6-ethanoyl-4-(3-oxidanylidene-3-piperazin-1-yl-propyl)-1,4-benzoxazin-3-one

Systemtic Name: 6-ethanoyl-4-(3-oxidanylidene-3-piperazin-1-yl-propyl)-1,4-benzoxazin-3-one Openeye Name: 6-acetyl-4-(3-oxo-3-piperazin-1-yl-propyl)-1,4-benzoxazin-3-one CAS Name: 6-acetyl-4-[3-oxo-3-(1-piperazinyl)propyl]-1,4-benzoxazin-3-one IUPAC Name: 6-acetyl-4-(3-oxo-3-piperazin-1-ylpropyl)-1,4-benzoxazin-3-one Traditional Name: 6-acetyl-4-(3-keto-3-piperazino-propyl)-1,4-benzoxazin-3-one Formula: C17H21N3O4 MolecularWeight: 331.36634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)OCC(=O)N2CCC(=O)N3CCNCC3

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)OCC(=O)N2CCC(=O)N3CCNCC3

InChI

InChI=1S/C17H21N3O4/c1-12(21)13-2-3-15-14(10-13)20(17(23)11-24-15)7-4-16(22)19-8-5-18-6-9-19/h2-3,10,18H,4-9,11H2,1H3