N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-methyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-methyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[(1,3-diphenyl-4-pyrazolyl)methyl]-2-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-methyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-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)[N+](=O)[O-])C(=O)NCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H18N6O3/c1-25-20(18(13-23-25)27(29)30)21(28)22-12-16-14-26(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)