4-(4-chloranyl-2-nitro-phenyl)-N-[2-(dimethylamino)-3-methyl-butyl]piperazine-1-carboxamide

Systemtic Name: 4-(4-chloranyl-2-nitro-phenyl)-N-[2-(dimethylamino)-3-methyl-butyl]piperazine-1-carboxamide Openeye Name: 4-(4-chloro-2-nitro-phenyl)-N-[2-(dimethylamino)-3-methyl-butyl]piperazine-1-carboxamide CAS Name: 4-(4-chloro-2-nitrophenyl)-N-[2-(dimethylamino)-3-methylbutyl]-1-piperazinecarboxamide IUPAC Name: 4-(4-chloro-2-nitrophenyl)-N-[2-(dimethylamino)-3-methylbutyl]piperazine-1-carboxamide Traditional Name: 4-(4-chloro-2-nitro-phenyl)-N-[2-(dimethylamino)-3-methyl-butyl]piperazine-1-carboxamide Formula: C18H28ClN5O3 MolecularWeight: 397.89962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28ClN5O3/c1-13(2)17(21(3)4)12-20-18(25)23-9-7-22(8-10-23)15-6-5-14(19)11-16(15)24(26)27/h5-6,11,13,17H,7-10,12H2,1-4H3,(H,20,25)