[4-[5-(diethylamino)-4-fluoranyl-2-nitro-phenyl]piperazin-1-yl]-phenyl-methanone

Systemtic Name: [4-[5-(diethylamino)-4-fluoranyl-2-nitro-phenyl]piperazin-1-yl]-phenyl-methanone Openeye Name: [4-[5-(diethylamino)-4-fluoro-2-nitro-phenyl]piperazin-1-yl]-phenyl-methanone CAS Name: [4-[5-(diethylamino)-4-fluoro-2-nitrophenyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-[5-(diethylamino)-4-fluoro-2-nitrophenyl]piperazin-1-yl]-phenylmethanone Traditional Name: [4-[5-(diethylamino)-4-fluoro-2-nitro-phenyl]piperazino]-phenyl-methanone Formula: C21H25FN4O3 MolecularWeight: 400.446603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C(=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)[N+](=O)[O-])F

Isomeric SMILES

CCN(CC)C1=C(C=C(C(=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3)[N+](=O)[O-])F

InChI

InChI=1S/C21H25FN4O3/c1-3-23(4-2)18-15-19(20(26(28)29)14-17(18)22)24-10-12-25(13-11-24)21(27)16-8-6-5-7-9-16/h5-9,14-15H,3-4,10-13H2,1-2H3