N-[3-(1-adamantylcarbonylamino)phenyl]-2-methyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[3-(1-adamantylcarbonylamino)phenyl]-2-methyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[3-(adamantane-1-carbonylamino)phenyl]-2-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[3-[[1-adamantyl(oxo)methyl]amino]phenyl]-2-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[3-(adamantane-1-carbonylamino)phenyl]-2-methyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[3-(adamantane-1-carbonylamino)phenyl]-2-methyl-4-nitro-pyrazole-3-carboxamide Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC(=CC=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=CC(=CC=C2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

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