N-[4-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[4-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[4-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[4-[4-(2-fluorobenzoyl)piperazino]phenyl]-2-morpholino-5-nitro-benzamide Formula: C28H28FN5O5 MolecularWeight: 533.550823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)C(=O)C5=CC=CC=C5F

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)C(=O)C5=CC=CC=C5F

InChI

InChI=1S/C28H28FN5O5/c29-25-4-2-1-3-23(25)28(36)33-13-11-31(12-14-33)21-7-5-20(6-8-21)30-27(35)24-19-22(34(37)38)9-10-26(24)32-15-17-39-18-16-32/h1-10,19H,11-18H2,(H,30,35)