N-[[4-(diethylaminomethyl)phenyl]methyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide

Systemtic Name: N-[[4-(diethylaminomethyl)phenyl]methyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide Openeye Name: N-[[4-(diethylaminomethyl)phenyl]methyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide CAS Name: N-[[4-(diethylaminomethyl)phenyl]methyl]-1-(4-nitrophenyl)-4-pyrazolecarboxamide IUPAC Name: N-[[4-(diethylaminomethyl)phenyl]methyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide Traditional Name: N-[4-(diethylaminomethyl)benzyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=C(C=C1)CNC(=O)C2=CN(N=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CC1=CC=C(C=C1)CNC(=O)C2=CN(N=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O3/c1-3-25(4-2)15-18-7-5-17(6-8-18)13-23-22(28)19-14-24-26(16-19)20-9-11-21(12-10-20)27(29)30/h5-12,14,16H,3-4,13,15H2,1-2H3,(H,23,28)