4-(4-ethanoylpiperazin-1-yl)-3-nitro-N-(1-phenylethyl)benzamide

Systemtic Name: 4-(4-ethanoylpiperazin-1-yl)-3-nitro-N-(1-phenylethyl)benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-3-nitro-N-(1-phenylethyl)benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-3-nitro-N-(1-phenylethyl)benzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-3-nitro-N-(1-phenylethyl)benzamide Traditional Name: 4-(4-acetylpiperazino)-3-nitro-N-(1-phenylethyl)benzamide Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4/c1-15(17-6-4-3-5-7-17)22-21(27)18-8-9-19(20(14-18)25(28)29)24-12-10-23(11-13-24)16(2)26/h3-9,14-15H,10-13H2,1-2H3,(H,22,27)