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

Systemtic Name: N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[4-[4-[(2-fluorophenyl)methyl]-1-piperazinyl]phenyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[4-[4-(2-fluorobenzyl)piperazino]phenyl]-2-morpholino-5-nitro-benzamide Formula: C28H30FN5O4 MolecularWeight: 519.567303

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2F)C3=CC=C(C=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCOCC5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2F)C3=CC=C(C=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCOCC5

InChI

InChI=1S/C28H30FN5O4/c29-26-4-2-1-3-21(26)20-31-11-13-32(14-12-31)23-7-5-22(6-8-23)30-28(35)25-19-24(34(36)37)9-10-27(25)33-15-17-38-18-16-33/h1-10,19H,11-18,20H2,(H,30,35)