1-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-3,5-dimethyl-4-nitro-pyrazole

Systemtic Name: 1-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-3,5-dimethyl-4-nitro-pyrazole Openeye Name: 1-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-3,5-dimethyl-4-nitro-pyrazole CAS Name: 1-[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-3,5-dimethyl-4-nitropyrazole IUPAC Name: 1-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3,5-dimethyl-4-nitropyrazole Traditional Name: 1-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-3,5-dimethyl-4-nitro-pyrazole Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CN(N=C2C3=CC=C(C=C3)OC)C4=CC=CC=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CN(N=C2C3=CC=C(C=C3)OC)C4=CC=CC=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O3/c1-15-22(27(28)29)16(2)25(23-15)13-18-14-26(19-7-5-4-6-8-19)24-21(18)17-9-11-20(30-3)12-10-17/h4-12,14H,13H2,1-3H3