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

Systemtic Name: 3-(1-adamantyl)-N-[3-(4-chloranylphenoxy)-5-nitro-phenyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-[3-(4-chlorophenoxy)-5-nitro-phenyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[3-(4-chlorophenoxy)-5-nitrophenyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-[3-(4-chlorophenoxy)-5-nitrophenyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-[3-(4-chlorophenoxy)-5-nitro-phenyl]-1-phenyl-pyrazole-4-carboxamide Formula: C32H29ClN4O4 MolecularWeight: 569.05006

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=CC(=CC(=C5)OC6=CC=C(C=C6)Cl)[N+](=O)[O-])C7=CC=CC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=CC(=CC(=C5)OC6=CC=C(C=C6)Cl)[N+](=O)[O-])C7=CC=CC=C7

InChI

InChI=1S/C32H29ClN4O4/c33-23-6-8-27(9-7-23)41-28-14-24(13-26(15-28)37(39)40)34-31(38)29-19-36(25-4-2-1-3-5-25)35-30(29)32-16-20-10-21(17-32)12-22(11-20)18-32/h1-9,13-15,19-22H,10-12,16-18H2,(H,34,38)