4-(4-nitrophenyl)-N-[(6-pyrazol-1-ylpyridin-3-yl)methyl]piperazine-1-carboxamide

Systemtic Name: 4-(4-nitrophenyl)-N-[(6-pyrazol-1-ylpyridin-3-yl)methyl]piperazine-1-carboxamide Openeye Name: 4-(4-nitrophenyl)-N-[(6-pyrazol-1-yl-3-pyridyl)methyl]piperazine-1-carboxamide CAS Name: 4-(4-nitrophenyl)-N-[[6-(1-pyrazolyl)-3-pyridinyl]methyl]-1-piperazinecarboxamide IUPAC Name: 4-(4-nitrophenyl)-N-[(6-pyrazol-1-ylpyridin-3-yl)methyl]piperazine-1-carboxamide Traditional Name: 4-(4-nitrophenyl)-N-[(6-pyrazol-1-yl-3-pyridyl)methyl]piperazine-1-carboxamide Formula: C20H21N7O3 MolecularWeight: 407.42584

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CN=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CN=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C20H21N7O3/c28-20(22-15-16-2-7-19(21-14-16)26-9-1-8-23-26)25-12-10-24(11-13-25)17-3-5-18(6-4-17)27(29)30/h1-9,14H,10-13,15H2,(H,22,28)