N-[(1S)-1-(2-chlorophenyl)ethyl]-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[(1S)-1-(2-chlorophenyl)ethyl]-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(2-chlorophenyl)ethyl]-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(2-chlorophenyl)ethyl]-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-[(1S)-1-(2-chlorophenyl)ethyl]-3-nitro-benzamide Formula: C21H23ClN4O4 MolecularWeight: 430.88472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Cl)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC=CC=C1Cl)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H23ClN4O4/c1-14(17-5-3-4-6-18(17)22)23-21(28)16-7-8-19(20(13-16)26(29)30)25-11-9-24(10-12-25)15(2)27/h3-8,13-14H,9-12H2,1-2H3,(H,23,28)/t14-/m0/s1