N-[[1-(dimethylamino)cycloheptyl]methyl]-4-(2-nitrophenyl)piperazine-1-carboxamide

Systemtic Name: N-[[1-(dimethylamino)cycloheptyl]methyl]-4-(2-nitrophenyl)piperazine-1-carboxamide Openeye Name: N-[[1-(dimethylamino)cycloheptyl]methyl]-4-(2-nitrophenyl)piperazine-1-carboxamide CAS Name: N-[[1-(dimethylamino)cycloheptyl]methyl]-4-(2-nitrophenyl)-1-piperazinecarboxamide IUPAC Name: N-[[1-(dimethylamino)cycloheptyl]methyl]-4-(2-nitrophenyl)piperazine-1-carboxamide Traditional Name: N-[[1-(dimethylamino)cycloheptyl]methyl]-4-(2-nitrophenyl)piperazine-1-carboxamide Formula: C21H33N5O3 MolecularWeight: 403.51842

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1(CCCCCC1)CNC(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CN(C)C1(CCCCCC1)CNC(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H33N5O3/c1-23(2)21(11-7-3-4-8-12-21)17-22-20(27)25-15-13-24(14-16-25)18-9-5-6-10-19(18)26(28)29/h5-6,9-10H,3-4,7-8,11-17H2,1-2H3,(H,22,27)