4-(4-ethanoylpiperazin-1-yl)-N-[3-[ethyl(phenyl)amino]propyl]-3-nitro-benzamide

Systemtic Name: 4-(4-ethanoylpiperazin-1-yl)-N-[3-[ethyl(phenyl)amino]propyl]-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-[3-(N-ethylanilino)propyl]-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-[3-(N-ethylanilino)propyl]-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-[3-(N-ethylanilino)propyl]-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-[3-(N-ethylanilino)propyl]-3-nitro-benzamide Formula: C24H31N5O4 MolecularWeight: 453.53404

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCNC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCN(CCCNC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C24H31N5O4/c1-3-26(21-8-5-4-6-9-21)13-7-12-25-24(31)20-10-11-22(23(18-20)29(32)33)28-16-14-27(15-17-28)19(2)30/h4-6,8-11,18H,3,7,12-17H2,1-2H3,(H,25,31)