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

Systemtic Name: 3-chloranyl-N-[4-methyl-3-[[3-[(4-methylpiperazin-1-yl)methyl]phenyl]carbonylamino]phenyl]-2-nitro-benzamide Openeye Name: 3-chloro-N-[4-methyl-3-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]phenyl]-2-nitro-benzamide CAS Name: 3-chloro-N-[4-methyl-3-[[[3-[(4-methyl-1-piperazinyl)methyl]phenyl]-oxomethyl]amino]phenyl]-2-nitrobenzamide IUPAC Name: 3-chloro-N-[4-methyl-3-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]phenyl]-2-nitrobenzamide Traditional Name: 3-chloro-N-[4-methyl-3-[[3-[(4-methylpiperazino)methyl]benzoyl]amino]phenyl]-2-nitro-benzamide Formula: C27H28ClN5O4 MolecularWeight: 521.99532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(C(=CC=C2)Cl)[N+](=O)[O-])NC(=O)C3=CC(=CC=C3)CN4CCN(CC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(C(=CC=C2)Cl)[N+](=O)[O-])NC(=O)C3=CC(=CC=C3)CN4CCN(CC4)C

InChI

InChI=1S/C27H28ClN5O4/c1-18-9-10-21(29-27(35)22-7-4-8-23(28)25(22)33(36)37)16-24(18)30-26(34)20-6-3-5-19(15-20)17-32-13-11-31(2)12-14-32/h3-10,15-16H,11-14,17H2,1-2H3,(H,29,35)(H,30,34)