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

Systemtic Name: 3-(1-adamantyl)-N-[3-(2-methoxyphenoxy)-5-nitro-phenyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-[3-(2-methoxyphenoxy)-5-nitro-phenyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-[3-(2-methoxyphenoxy)-5-nitro-phenyl]-1-phenyl-pyrazole-4-carboxamide Formula: C33H32N4O5 MolecularWeight: 564.63098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

Isomeric SMILES

COC1=CC=CC=C1OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

InChI

InChI=1S/C33H32N4O5/c1-41-29-9-5-6-10-30(29)42-27-15-24(14-26(16-27)37(39)40)34-32(38)28-20-36(25-7-3-2-4-8-25)35-31(28)33-17-21-11-22(18-33)13-23(12-21)19-33/h2-10,14-16,20-23H,11-13,17-19H2,1H3,(H,34,38)