3-(1-adamantyl)-N-[(4-bromanyl-2-ethyl-pyrazol-3-yl)methyl]-N-methyl-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-[(4-bromanyl-2-ethyl-pyrazol-3-yl)methyl]-N-methyl-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-[(4-bromo-2-ethyl-pyrazol-3-yl)methyl]-N-methyl-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[(4-bromo-2-ethyl-3-pyrazolyl)methyl]-N-methyl-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-[(4-bromo-2-ethylpyrazol-3-yl)methyl]-N-methyl-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-[(4-bromo-2-ethyl-pyrazol-3-yl)methyl]-N-methyl-1-phenyl-pyrazole-4-carboxamide Formula: C27H32BrN5O MolecularWeight: 522.47988

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)Br)CN(C)C(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

Isomeric SMILES

CCN1C(=C(C=N1)Br)CN(C)C(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

InChI

InChI=1S/C27H32BrN5O/c1-3-32-24(23(28)15-29-32)17-31(2)26(34)22-16-33(21-7-5-4-6-8-21)30-25(22)27-12-18-9-19(13-27)11-20(10-18)14-27/h4-8,15-16,18-20H,3,9-14,17H2,1-2H3