3-(1-adamantyl)-N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-[3-(2,5-dimethylphenoxy)-5-nitrophenyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-[3-(2,5-dimethylphenoxy)-5-nitro-phenyl]-1-phenyl-pyrazole-4-carboxamide Formula: C34H34N4O4 MolecularWeight: 562.65816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

InChI

InChI=1S/C34H34N4O4/c1-21-8-9-22(2)31(10-21)42-29-15-26(14-28(16-29)38(40)41)35-33(39)30-20-37(27-6-4-3-5-7-27)36-32(30)34-17-23-11-24(18-34)13-25(12-23)19-34/h3-10,14-16,20,23-25H,11-13,17-19H2,1-2H3,(H,35,39)