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

Systemtic Name: 4-morpholin-4-yl-3-nitro-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]benzamide Openeye Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-morpholino-3-nitro-benzamide CAS Name: 4-(4-morpholinyl)-3-nitro-N-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]benzamide IUPAC Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[4-(4-benzylpiperazino)phenyl]-4-morpholino-3-nitro-benzamide Formula: C28H31N5O4 MolecularWeight: 501.57684

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C28H31N5O4/c34-28(23-6-11-26(27(20-23)33(35)36)32-16-18-37-19-17-32)29-24-7-9-25(10-8-24)31-14-12-30(13-15-31)21-22-4-2-1-3-5-22/h1-11,20H,12-19,21H2,(H,29,34)