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

Systemtic Name: N-[4-[4-(2-methylphenyl)carbonylpiperazin-1-yl]phenyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[4-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: 2-morpholino-5-nitro-N-[4-(4-o-toluoylpiperazino)phenyl]benzamide Formula: C29H31N5O5 MolecularWeight: 529.58694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCOCC5

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCOCC5

InChI

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