N-[4-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[4-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[4-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: 4-morpholino-3-nitro-N-[4-(4-p-toluoylpiperazino)phenyl]benzamide Formula: C29H31N5O5 MolecularWeight: 529.58694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C29H31N5O5/c1-21-2-4-22(5-3-21)29(36)33-14-12-31(13-15-33)25-9-7-24(8-10-25)30-28(35)23-6-11-26(27(20-23)34(37)38)32-16-18-39-19-17-32/h2-11,20H,12-19H2,1H3,(H,30,35)