N-(4-azanylcyclohexyl)-3-nitro-4-[4-(2-phenylethanoyl)piperazin-1-yl]benzamide

Systemtic Name: N-(4-azanylcyclohexyl)-3-nitro-4-[4-(2-phenylethanoyl)piperazin-1-yl]benzamide Openeye Name: N-(4-aminocyclohexyl)-3-nitro-4-[4-(2-phenylacetyl)piperazin-1-yl]benzamide CAS Name: N-(4-aminocyclohexyl)-3-nitro-4-[4-(1-oxo-2-phenylethyl)-1-piperazinyl]benzamide IUPAC Name: N-(4-aminocyclohexyl)-3-nitro-4-[4-(2-phenylacetyl)piperazin-1-yl]benzamide Traditional Name: N-(4-aminocyclohexyl)-3-nitro-4-[4-(2-phenylacetyl)piperazino]benzamide Formula: C25H31N5O4 MolecularWeight: 465.54474

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC(CCC1N)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H31N5O4/c26-20-7-9-21(10-8-20)27-25(32)19-6-11-22(23(17-19)30(33)34)28-12-14-29(15-13-28)24(31)16-18-4-2-1-3-5-18/h1-6,11,17,20-21H,7-10,12-16,26H2,(H,27,32)