N-[4-(diethylamino)phenyl]-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C23H29N5O4/c1-4-25(5-2)20-9-7-19(8-10-20)24-23(30)18-6-11-21(22(16-18)28(31)32)27-14-12-26(13-15-27)17(3)29/h6-11,16H,4-5,12-15H2,1-3H3,(H,24,30)