3-(1-adamantyl)-N-(3-nitro-5-pyridin-3-yloxy-phenyl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-(3-nitro-5-pyridin-3-yloxy-phenyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-[3-nitro-5-(3-pyridyloxy)phenyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[3-nitro-5-(3-pyridinyloxy)phenyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-(3-nitro-5-pyridin-3-yloxyphenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-[3-nitro-5-(3-pyridyloxy)phenyl]-1-phenyl-pyrazole-4-carboxamide Formula: C31H29N5O4 MolecularWeight: 535.59306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H29N5O4/c37-30(33-23-12-25(36(38)39)14-27(13-23)40-26-7-4-8-32-18-26)28-19-35(24-5-2-1-3-6-24)34-29(28)31-15-20-9-21(16-31)11-22(10-20)17-31/h1-8,12-14,18-22H,9-11,15-17H2,(H,33,37)