3-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-4-oxidanylidene-butyl]-6-nitro-1,3-benzoxazol-2-one

Systemtic Name: 3-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-4-oxidanylidene-butyl]-6-nitro-1,3-benzoxazol-2-one Openeye Name: 3-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-4-oxo-butyl]-6-nitro-1,3-benzoxazol-2-one CAS Name: 3-[4-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[4-[4-(2-fluorobenzyl)piperazino]-4-keto-butyl]-6-nitro-1,3-benzoxazol-2-one Formula: C22H23FN4O5 MolecularWeight: 442.440223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2F)C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2F)C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C22H23FN4O5/c23-18-5-2-1-4-16(18)15-24-10-12-25(13-11-24)21(28)6-3-9-26-19-8-7-17(27(30)31)14-20(19)32-22(26)29/h1-2,4-5,7-8,14H,3,6,9-13,15H2