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

Systemtic Name: 3-(1-adamantyl)-N-[3-(4-methylphenoxy)-5-nitro-phenyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-[3-(4-methylphenoxy)-5-nitro-phenyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-[3-(4-methylphenoxy)-5-nitrophenyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-[3-(4-methylphenoxy)-5-nitro-phenyl]-1-phenyl-pyrazole-4-carboxamide Formula: C33H32N4O4 MolecularWeight: 548.63158

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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

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

InChI

InChI=1S/C33H32N4O4/c1-21-7-9-28(10-8-21)41-29-15-25(14-27(16-29)37(39)40)34-32(38)30-20-36(26-5-3-2-4-6-26)35-31(30)33-17-22-11-23(18-33)13-24(12-22)19-33/h2-10,14-16,20,22-24H,11-13,17-19H2,1H3,(H,34,38)