N-(4-acetamidophenyl)-1-(1-adamantyl)-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-(4-acetamidophenyl)-1-(1-adamantyl)-4-nitro-pyrazole-3-carboxamide Openeye Name: N-(4-acetamidophenyl)-1-(1-adamantyl)-4-nitro-pyrazole-3-carboxamide CAS Name: N-(4-acetamidophenyl)-1-(1-adamantyl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-(4-acetamidophenyl)-1-(1-adamantyl)-4-nitropyrazole-3-carboxamide Traditional Name: N-(4-acetamidophenyl)-1-(1-adamantyl)-4-nitro-pyrazole-3-carboxamide Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H25N5O4/c1-13(28)23-17-2-4-18(5-3-17)24-21(29)20-19(27(30)31)12-26(25-20)22-9-14-6-15(10-22)8-16(7-14)11-22/h2-5,12,14-16H,6-11H2,1H3,(H,23,28)(H,24,29)