(2S,3R)-5-methyl-3-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-2-propyl-hexanamide

Systemtic Name: (2S,3R)-5-methyl-3-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-2-propyl-hexanamide Openeye Name: (2S,3R)-5-methyl-3-[4-(4-nitrophenyl)piperazine-1-carbonyl]-2-propyl-hexanamide CAS Name: (2S,3R)-5-methyl-3-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]-2-propylhexanamide IUPAC Name: (2S,3R)-5-methyl-3-[4-(4-nitrophenyl)piperazine-1-carbonyl]-2-propylhexanamide Traditional Name: (2S,3R)-5-methyl-3-[4-(4-nitrophenyl)piperazine-1-carbonyl]-2-propyl-hexanamide Formula: C21H32N4O4 MolecularWeight: 404.50318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[C@@H]([C@@H](CC(C)C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C21H32N4O4/c1-4-5-18(20(22)26)19(14-15(2)3)21(27)24-12-10-23(11-13-24)16-6-8-17(9-7-16)25(28)29/h6-9,15,18-19H,4-5,10-14H2,1-3H3,(H2,22,26)/t18-,19+/m0/s1