N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-nitro-benzamide Formula: C25H33N5O4 MolecularWeight: 467.56062

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CNC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-])N(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(CNC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-])N(C)C

InChI

InChI=1S/C25H33N5O4/c1-5-19-6-8-20(9-7-19)24(27(3)4)17-26-25(32)21-10-11-22(23(16-21)30(33)34)29-14-12-28(13-15-29)18(2)31/h6-11,16,24H,5,12-15,17H2,1-4H3,(H,26,32)