3-nitro-4-phenylazanyl-N-[(6-pyrazol-1-ylpyridin-3-yl)methyl]benzamide

Systemtic Name: 3-nitro-4-phenylazanyl-N-[(6-pyrazol-1-ylpyridin-3-yl)methyl]benzamide Openeye Name: 4-anilino-3-nitro-N-[(6-pyrazol-1-yl-3-pyridyl)methyl]benzamide CAS Name: 4-anilino-3-nitro-N-[[6-(1-pyrazolyl)-3-pyridinyl]methyl]benzamide IUPAC Name: 4-anilino-3-nitro-N-[(6-pyrazol-1-ylpyridin-3-yl)methyl]benzamide Traditional Name: 4-anilino-3-nitro-N-[(6-pyrazol-1-yl-3-pyridyl)methyl]benzamide Formula: C22H18N6O3 MolecularWeight: 414.41672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)NCC3=CN=C(C=C3)N4C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)NCC3=CN=C(C=C3)N4C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N6O3/c29-22(24-15-16-7-10-21(23-14-16)27-12-4-11-25-27)17-8-9-19(20(13-17)28(30)31)26-18-5-2-1-3-6-18/h1-14,26H,15H2,(H,24,29)