3-(1-adamantyl)-N-(2-methyl-4-nitro-phenyl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-(2-methyl-4-nitro-phenyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-(2-methyl-4-nitro-phenyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-(2-methyl-4-nitrophenyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-(2-methyl-4-nitrophenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-(2-methyl-4-nitro-phenyl)-1-phenyl-pyrazole-4-carboxamide Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

InChI

InChI=1S/C27H28N4O3/c1-17-9-22(31(33)34)7-8-24(17)28-26(32)23-16-30(21-5-3-2-4-6-21)29-25(23)27-13-18-10-19(14-27)12-20(11-18)15-27/h2-9,16,18-20H,10-15H2,1H3,(H,28,32)