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

Systemtic Name: 3-(1-adamantyl)-N-[(4-bromanyl-2-ethyl-pyrazol-3-yl)methyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-[(4-bromo-2-ethyl-pyrazol-3-yl)methyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[(4-bromo-2-ethyl-3-pyrazolyl)methyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-[(4-bromo-2-ethylpyrazol-3-yl)methyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-[(4-bromo-2-ethyl-pyrazol-3-yl)methyl]-1-phenyl-pyrazole-4-carboxamide Formula: C26H30BrN5O MolecularWeight: 508.4533

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30BrN5O/c1-2-31-23(22(27)14-29-31)15-28-25(33)21-16-32(20-6-4-3-5-7-20)30-24(21)26-11-17-8-18(12-26)10-19(9-17)13-26/h3-7,14,16-19H,2,8-13,15H2,1H3,(H,28,33)