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

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-4-(4-ethanoylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-[2-(1-cyclohexenyl)ethyl]-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-[2-(cyclohexen-1-yl)ethyl]-3-nitro-benzamide Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCCC3=CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCCC3=CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O4/c1-16(26)23-11-13-24(14-12-23)19-8-7-18(15-20(19)25(28)29)21(27)22-10-9-17-5-3-2-4-6-17/h5,7-8,15H,2-4,6,9-14H2,1H3,(H,22,27)