1-(4-nitrophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazole-4-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1CNC(=O)C2=CN(N=C2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CN(CC1CNC(=O)C2=CN(N=C2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H21N5O3/c27-21(22-12-16-10-11-24(14-16)18-4-2-1-3-5-18)17-13-23-25(15-17)19-6-8-20(9-7-19)26(28)29/h1-9,13,15-16H,10-12,14H2,(H,22,27)