N-[5-chloranyl-2-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[5-chloranyl-2-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[5-chloro-2-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[5-chloro-2-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazinyl]phenyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[5-chloro-2-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[5-chloro-2-[4-(2-fluorobenzoyl)piperazino]phenyl]-4-morpholino-3-nitro-benzamide Formula: C28H27ClFN5O5 MolecularWeight: 567.995883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27ClFN5O5/c29-20-6-8-24(32-9-11-34(12-10-32)28(37)21-3-1-2-4-22(21)30)23(18-20)31-27(36)19-5-7-25(26(17-19)35(38)39)33-13-15-40-16-14-33/h1-8,17-18H,9-16H2,(H,31,36)