3-methyl-4-nitro-N-[4-(4-propanoylpiperazin-1-yl)phenyl]benzamide

Systemtic Name: 3-methyl-4-nitro-N-[4-(4-propanoylpiperazin-1-yl)phenyl]benzamide Openeye Name: 3-methyl-4-nitro-N-[4-(4-propanoylpiperazin-1-yl)phenyl]benzamide CAS Name: 3-methyl-4-nitro-N-[4-[4-(1-oxopropyl)-1-piperazinyl]phenyl]benzamide IUPAC Name: 3-methyl-4-nitro-N-[4-(4-propanoylpiperazin-1-yl)phenyl]benzamide Traditional Name: 3-methyl-4-nitro-N-[4-(4-propionylpiperazino)phenyl]benzamide Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4/c1-3-20(26)24-12-10-23(11-13-24)18-7-5-17(6-8-18)22-21(27)16-4-9-19(25(28)29)15(2)14-16/h4-9,14H,3,10-13H2,1-2H3,(H,22,27)