N-(2-ethyl-5-nitro-phenyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide

Systemtic Name: N-(2-ethyl-5-nitro-phenyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide Openeye Name: N-(2-ethyl-5-nitro-phenyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide CAS Name: N-(2-ethyl-5-nitrophenyl)-3-[(4-methyl-1-piperazinyl)methyl]benzamide IUPAC Name: N-(2-ethyl-5-nitrophenyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide Traditional Name: N-(2-ethyl-5-nitro-phenyl)-3-[(4-methylpiperazino)methyl]benzamide Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC(=CC=C2)CN3CCN(CC3)C

Isomeric SMILES

CCC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC(=CC=C2)CN3CCN(CC3)C

InChI

InChI=1S/C21H26N4O3/c1-3-17-7-8-19(25(27)28)14-20(17)22-21(26)18-6-4-5-16(13-18)15-24-11-9-23(2)10-12-24/h4-8,13-14H,3,9-12,15H2,1-2H3,(H,22,26)