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

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-[(4-dimethylaminophenyl)methyl]-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-[(4-dimethylaminophenyl)methyl]-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-[(4-dimethylaminophenyl)methyl]-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-[4-(dimethylamino)benzyl]-3-nitro-benzamide Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O4/c1-16(28)25-10-12-26(13-11-25)20-9-6-18(14-21(20)27(30)31)22(29)23-15-17-4-7-19(8-5-17)24(2)3/h4-9,14H,10-13,15H2,1-3H3,(H,23,29)