3,5-dinitro-N-[4-(4-propanoylpiperazin-1-yl)phenyl]benzamide

Systemtic Name: 3,5-dinitro-N-[4-(4-propanoylpiperazin-1-yl)phenyl]benzamide Openeye Name: 3,5-dinitro-N-[4-(4-propanoylpiperazin-1-yl)phenyl]benzamide CAS Name: 3,5-dinitro-N-[4-[4-(1-oxopropyl)-1-piperazinyl]phenyl]benzamide IUPAC Name: 3,5-dinitro-N-[4-(4-propanoylpiperazin-1-yl)phenyl]benzamide Traditional Name: 3,5-dinitro-N-[4-(4-propionylpiperazino)phenyl]benzamide Formula: C20H21N5O6 MolecularWeight: 427.41064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O6/c1-2-19(26)23-9-7-22(8-10-23)16-5-3-15(4-6-16)21-20(27)14-11-17(24(28)29)13-18(12-14)25(30)31/h3-6,11-13H,2,7-10H2,1H3,(H,21,27)