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

Systemtic Name: N-[(3-chlorophenyl)methyl]-4-(4-ethanoylpiperazin-1-yl)-N-methyl-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-[(3-chlorophenyl)methyl]-N-methyl-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-[(3-chlorophenyl)methyl]-N-methyl-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-[(3-chlorophenyl)methyl]-N-methyl-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-(3-chlorobenzyl)-N-methyl-3-nitro-benzamide Formula: C21H23ClN4O4 MolecularWeight: 430.88472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O4/c1-15(27)24-8-10-25(11-9-24)19-7-6-17(13-20(19)26(29)30)21(28)23(2)14-16-4-3-5-18(22)12-16/h3-7,12-13H,8-11,14H2,1-2H3