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

Systemtic Name: 4-morpholin-4-yl-3-nitro-N-[4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]benzamide Openeye Name: N-[4-(4-benzoylpiperazin-1-yl)phenyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[4-(4-benzoyl-1-piperazinyl)phenyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[4-(4-benzoylpiperazin-1-yl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[4-(4-benzoylpiperazino)phenyl]-4-morpholino-3-nitro-benzamide Formula: C28H29N5O5 MolecularWeight: 515.56036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N5O5/c34-27(22-6-11-25(26(20-22)33(36)37)31-16-18-38-19-17-31)29-23-7-9-24(10-8-23)30-12-14-32(15-13-30)28(35)21-4-2-1-3-5-21/h1-11,20H,12-19H2,(H,29,34)