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

Systemtic Name: 1-(4-nitrophenyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide Openeye Name: 1-(4-nitrophenyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide CAS Name: 1-(4-nitrophenyl)-N-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 1-(4-nitrophenyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide Traditional Name: 1-(4-nitrophenyl)-N-[4-(pyrrolidinomethyl)benzyl]pyrazole-4-carboxamide Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=C(C=C2)CNC(=O)C3=CN(N=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)CC2=CC=C(C=C2)CNC(=O)C3=CN(N=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O3/c28-22(19-14-24-26(16-19)20-7-9-21(10-8-20)27(29)30)23-13-17-3-5-18(6-4-17)15-25-11-1-2-12-25/h3-10,14,16H,1-2,11-13,15H2,(H,23,28)