1-(3-nitrophenyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrazole-3-carboxamide

Systemtic Name: 1-(3-nitrophenyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrazole-3-carboxamide Openeye Name: 1-(3-nitrophenyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrazole-3-carboxamide CAS Name: 1-(3-nitrophenyl)-N-[[4-(1-pyrrolidinyl)phenyl]methyl]-3-pyrazolecarboxamide IUPAC Name: 1-(3-nitrophenyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrazole-3-carboxamide Traditional Name: 1-(3-nitrophenyl)-N-(4-pyrrolidinobenzyl)pyrazole-3-carboxamide Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O3/c27-21(22-15-16-6-8-17(9-7-16)24-11-1-2-12-24)20-10-13-25(23-20)18-4-3-5-19(14-18)26(28)29/h3-10,13-14H,1-2,11-12,15H2,(H,22,27)