4-[[4-[1-(4-nitrophenyl)pyrazol-4-yl]pyrimidin-2-yl]amino]benzamide

Systemtic Name: 4-[[4-[1-(4-nitrophenyl)pyrazol-4-yl]pyrimidin-2-yl]amino]benzamide Openeye Name: 4-[[4-[1-(4-nitrophenyl)pyrazol-4-yl]pyrimidin-2-yl]amino]benzamide CAS Name: 4-[[4-[1-(4-nitrophenyl)-4-pyrazolyl]-2-pyrimidinyl]amino]benzamide IUPAC Name: 4-[[4-[1-(4-nitrophenyl)pyrazol-4-yl]pyrimidin-2-yl]amino]benzamide Traditional Name: 4-[[4-[1-(4-nitrophenyl)pyrazol-4-yl]pyrimidin-2-yl]amino]benzamide Formula: C20H15N7O3 MolecularWeight: 401.3782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N)NC2=NC=CC(=N2)C3=CN(N=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)N)NC2=NC=CC(=N2)C3=CN(N=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H15N7O3/c21-19(28)13-1-3-15(4-2-13)24-20-22-10-9-18(25-20)14-11-23-26(12-14)16-5-7-17(8-6-16)27(29)30/h1-12H,(H2,21,28)(H,22,24,25)