N-[4-methyl-3-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]carbonylamino]phenyl]-3-morpholin-4-yl-2-nitro-benzamide

Systemtic Name: N-[4-methyl-3-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]carbonylamino]phenyl]-3-morpholin-4-yl-2-nitro-benzamide Openeye Name: N-[4-methyl-3-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]phenyl]-3-morpholino-2-nitro-benzamide CAS Name: N-[4-methyl-3-[[[3-[(4-methyl-1-piperazinyl)methyl]phenyl]-oxomethyl]amino]phenyl]-3-(4-morpholinyl)-2-nitrobenzamide IUPAC Name: N-[4-methyl-3-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]phenyl]-3-morpholin-4-yl-2-nitrobenzamide Traditional Name: N-[4-methyl-3-[[3-[(4-methylpiperazino)methyl]benzoyl]amino]phenyl]-3-morpholino-2-nitro-benzamide Formula: C31H36N6O5 MolecularWeight: 572.65474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(C(=CC=C2)N3CCOCC3)[N+](=O)[O-])NC(=O)C4=CC(=CC=C4)CN5CCN(CC5)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(C(=CC=C2)N3CCOCC3)[N+](=O)[O-])NC(=O)C4=CC(=CC=C4)CN5CCN(CC5)C

InChI

InChI=1S/C31H36N6O5/c1-22-9-10-25(32-31(39)26-7-4-8-28(29(26)37(40)41)36-15-17-42-18-16-36)20-27(22)33-30(38)24-6-3-5-23(19-24)21-35-13-11-34(2)12-14-35/h3-10,19-20H,11-18,21H2,1-2H3,(H,32,39)(H,33,38)