N-[[2-(dimethylaminomethyl)phenyl]methyl]-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-[[2-(dimethylaminomethyl)phenyl]methyl]-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-[[2-(dimethylaminomethyl)phenyl]methyl]-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-[[2-(dimethylaminomethyl)phenyl]methyl]-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-[2-(dimethylaminomethyl)benzyl]-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)NCC3=CC=CC=C3CN(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3CN(C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H29N5O4/c1-17(29)26-10-12-27(13-11-26)21-9-8-18(14-22(21)28(31)32)23(30)24-15-19-6-4-5-7-20(19)16-25(2)3/h4-9,14H,10-13,15-16H2,1-3H3,(H,24,30)