N-(2-cyano-3-methyl-butan-2-yl)-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[4-(4-nitrophenyl)-1-piperazinyl]acetamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[4-(4-nitrophenyl)piperazino]acetamide Formula: C18H25N5O3 MolecularWeight: 359.4228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CN1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)CN1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H25N5O3/c1-14(2)18(3,13-19)20-17(24)12-21-8-10-22(11-9-21)15-4-6-16(7-5-15)23(25)26/h4-7,14H,8-12H2,1-3H3,(H,20,24)