N-[(4-dimethylaminophenyl)methyl]-4-(4-ethanoylpiperazin-1-yl)-N-methyl-3-nitro-benzamide

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-4-(4-ethanoylpiperazin-1-yl)-N-methyl-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-[(4-dimethylaminophenyl)methyl]-N-methyl-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-[(4-dimethylaminophenyl)methyl]-N-methyl-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-[(4-dimethylaminophenyl)methyl]-N-methyl-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-[4-(dimethylamino)benzyl]-N-methyl-3-nitro-benzamide Formula: C23H29N5O4 MolecularWeight: 439.50746

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N(C)CC3=CC=C(C=C3)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N(C)CC3=CC=C(C=C3)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H29N5O4/c1-17(29)26-11-13-27(14-12-26)21-10-7-19(15-22(21)28(31)32)23(30)25(4)16-18-5-8-20(9-6-18)24(2)3/h5-10,15H,11-14,16H2,1-4H3