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

Systemtic Name: 3-(1-adamantyl)-N-(4-ethoxy-2-nitro-phenyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-(4-ethoxy-2-nitro-phenyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-(4-ethoxy-2-nitrophenyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-(4-ethoxy-2-nitrophenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-(4-ethoxy-2-nitro-phenyl)-1-phenyl-pyrazole-4-carboxamide Formula: C28H30N4O4 MolecularWeight: 486.5622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C28H30N4O4/c1-2-36-22-8-9-24(25(13-22)32(34)35)29-27(33)23-17-31(21-6-4-3-5-7-21)30-26(23)28-14-18-10-19(15-28)12-20(11-18)16-28/h3-9,13,17-20H,2,10-12,14-16H2,1H3,(H,29,33)