5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)-N-phenethyl-pyrazole-3-carboxamide

Systemtic Name: 5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)-N-phenethyl-pyrazole-3-carboxamide Openeye Name: 5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)-N-phenethyl-pyrazole-3-carboxamide CAS Name: 5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)-N-phenethyl-3-pyrazolecarboxamide IUPAC Name: 5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)-N-phenethylpyrazole-3-carboxamide Traditional Name: 5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)-N-phenethyl-pyrazole-3-carboxamide Formula: C26H24N4O3 MolecularWeight: 440.49376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)NCCC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)NCCC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C26H24N4O3/c1-18-11-12-21(15-19(18)2)24-17-25(26(31)27-14-13-20-7-4-3-5-8-20)29(28-24)22-9-6-10-23(16-22)30(32)33/h3-12,15-17H,13-14H2,1-2H3,(H,27,31)