N-[3-chloranyl-4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[3-chloranyl-4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[4-(4-benzoylpiperazin-1-yl)-3-chloro-phenyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[4-(4-benzoyl-1-piperazinyl)-3-chlorophenyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[4-(4-benzoylpiperazino)-3-chloro-phenyl]-4-morpholino-3-nitro-benzamide Formula: C28H28ClN5O5 MolecularWeight: 550.00542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28ClN5O5/c29-23-19-22(7-9-24(23)31-10-12-33(13-11-31)28(36)20-4-2-1-3-5-20)30-27(35)21-6-8-25(26(18-21)34(37)38)32-14-16-39-17-15-32/h1-9,18-19H,10-17H2,(H,30,35)