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

Systemtic Name: 3-(1-adamantyl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-1-phenyl-pyrazole-4-carboxamide Formula: C35H36N4O4 MolecularWeight: 576.68474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H36N4O4/c1-21-9-22(2)23(3)32(10-21)43-30-15-27(14-29(16-30)39(41)42)36-34(40)31-20-38(28-7-5-4-6-8-28)37-33(31)35-17-24-11-25(18-35)13-26(12-24)19-35/h4-10,14-16,20,24-26H,11-13,17-19H2,1-3H3,(H,36,40)