N-(1-adamantyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide

Systemtic Name: N-(1-adamantyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide Openeye Name: N-(1-adamantyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide CAS Name: N-(1-adamantyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]propanamide IUPAC Name: N-(1-adamantyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide Traditional Name: N-(1-adamantyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]propionamide Formula: C24H31F3N4O3 MolecularWeight: 480.52315

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)N4CCN(CC4)C5=C(C=C(C=C5)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)N4CCN(CC4)C5=C(C=C(C=C5)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C24H31F3N4O3/c1-15(22(32)28-23-12-16-8-17(13-23)10-18(9-16)14-23)29-4-6-30(7-5-29)20-3-2-19(24(25,26)27)11-21(20)31(33)34/h2-3,11,15-18H,4-10,12-14H2,1H3,(H,28,32)