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

Systemtic Name: N-[[1-(dimethylamino)cycloheptyl]methyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide Openeye Name: N-[[1-(dimethylamino)cycloheptyl]methyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide CAS Name: N-[[1-(dimethylamino)cycloheptyl]methyl]-1-(4-nitrophenyl)-4-pyrazolecarboxamide IUPAC Name: N-[[1-(dimethylamino)cycloheptyl]methyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide Traditional Name: N-[[1-(dimethylamino)cycloheptyl]methyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1(CCCCCC1)CNC(=O)C2=CN(N=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1(CCCCCC1)CNC(=O)C2=CN(N=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H27N5O3/c1-23(2)20(11-5-3-4-6-12-20)15-21-19(26)16-13-22-24(14-16)17-7-9-18(10-8-17)25(27)28/h7-10,13-14H,3-6,11-12,15H2,1-2H3,(H,21,26)