N-[(2-morpholin-4-ylpyridin-4-yl)methyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide

Systemtic Name: N-[(2-morpholin-4-ylpyridin-4-yl)methyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide Openeye Name: N-[(2-morpholino-4-pyridyl)methyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide CAS Name: N-[[2-(4-morpholinyl)-4-pyridinyl]methyl]-1-(4-nitrophenyl)-4-pyrazolecarboxamide IUPAC Name: N-[(2-morpholin-4-ylpyridin-4-yl)methyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide Traditional Name: N-[(2-morpholino-4-pyridyl)methyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide Formula: C20H20N6O4 MolecularWeight: 408.4106

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC=CC(=C2)CNC(=O)C3=CN(N=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=NC=CC(=C2)CNC(=O)C3=CN(N=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N6O4/c27-20(16-13-23-25(14-16)17-1-3-18(4-2-17)26(28)29)22-12-15-5-6-21-19(11-15)24-7-9-30-10-8-24/h1-6,11,13-14H,7-10,12H2,(H,22,27)