4-[[4-[3-methyl-1-(4-nitrophenyl)pyrazol-4-yl]pyrimidin-2-yl]amino]benzamide

Systemtic Name: 4-[[4-[3-methyl-1-(4-nitrophenyl)pyrazol-4-yl]pyrimidin-2-yl]amino]benzamide Openeye Name: 4-[[4-[3-methyl-1-(4-nitrophenyl)pyrazol-4-yl]pyrimidin-2-yl]amino]benzamide CAS Name: 4-[[4-[3-methyl-1-(4-nitrophenyl)-4-pyrazolyl]-2-pyrimidinyl]amino]benzamide IUPAC Name: 4-[[4-[3-methyl-1-(4-nitrophenyl)pyrazol-4-yl]pyrimidin-2-yl]amino]benzamide Traditional Name: 4-[[4-[3-methyl-1-(4-nitrophenyl)pyrazol-4-yl]pyrimidin-2-yl]amino]benzamide Formula: C21H17N7O3 MolecularWeight: 415.40478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C2=NC(=NC=C2)NC3=CC=C(C=C3)C(=O)N)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C=C1C2=NC(=NC=C2)NC3=CC=C(C=C3)C(=O)N)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N7O3/c1-13-18(12-27(26-13)16-6-8-17(9-7-16)28(30)31)19-10-11-23-21(25-19)24-15-4-2-14(3-5-15)20(22)29/h2-12H,1H3,(H2,22,29)(H,23,24,25)