N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[(1,3-diphenyl-4-pyrazolyl)methyl]-1-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methyl-4-nitro-pyrazole-3-carboxamide Formula: C21H18N6O3 MolecularWeight: 402.40602

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N6O3/c1-25-14-18(27(29)30)20(23-25)21(28)22-12-16-13-26(17-10-6-3-7-11-17)24-19(16)15-8-4-2-5-9-15/h2-11,13-14H,12H2,1H3,(H,22,28)