1-(1-adamantyl)-N-(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-4-nitro-pyrazole-3-carboxamide Formula: C24H30N4O4 MolecularWeight: 438.5194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)O)C(C)C)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C=C(C(=C1)O)C(C)C)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H30N4O4/c1-13(2)18-8-19(14(3)4-21(18)29)25-23(30)22-20(28(31)32)12-27(26-22)24-9-15-5-16(10-24)7-17(6-15)11-24/h4,8,12-13,15-17,29H,5-7,9-11H2,1-3H3,(H,25,30)