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

Systemtic Name: 4-(4-ethanoylpiperazin-1-yl)-N-[(1S)-1-(2-methylphenyl)ethyl]-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-3-nitro-N-[(1S)-1-(o-tolyl)ethyl]benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-[(1S)-1-(2-methylphenyl)ethyl]-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(2-methylphenyl)ethyl]-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-3-nitro-N-[(1S)-1-(o-tolyl)ethyl]benzamide Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1[C@H](C)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O4/c1-15-6-4-5-7-19(15)16(2)23-22(28)18-8-9-20(21(14-18)26(29)30)25-12-10-24(11-13-25)17(3)27/h4-9,14,16H,10-13H2,1-3H3,(H,23,28)/t16-/m0/s1