4-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]carbonylamino]butanoyl chloride

Systemtic Name: 4-[[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]carbonylamino]butanoyl chloride Openeye Name: 4-[[3-(1-adamantyl)-1-phenyl-pyrazole-4-carbonyl]amino]butanoyl chloride CAS Name: 4-[[[3-(1-adamantyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]butanoyl chloride IUPAC Name: 4-[[3-(1-adamantyl)-1-phenylpyrazole-4-carbonyl]amino]butanoyl chloride Traditional Name: 4-[[3-(1-adamantyl)-1-phenyl-pyrazole-4-carbonyl]amino]butyryl chloride Formula: C24H28ClN3O2 MolecularWeight: 425.95102

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NCCCC(=O)Cl)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NCCCC(=O)Cl)C5=CC=CC=C5

InChI

InChI=1S/C24H28ClN3O2/c25-21(29)7-4-8-26-23(30)20-15-28(19-5-2-1-3-6-19)27-22(20)24-12-16-9-17(13-24)11-18(10-16)14-24/h1-3,5-6,15-18H,4,7-14H2,(H,26,30)