3-(1-adamantyl)-N-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)propyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propyl]-1-phenyl-pyrazole-4-carboxamide Formula: C28H34BrN5O MolecularWeight: 536.50646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCNC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)C)Br

Isomeric SMILES

CC1=C(C(=NN1CCCNC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)C)Br

InChI

InChI=1S/C28H34BrN5O/c1-18-25(29)19(2)33(31-18)10-6-9-30-27(35)24-17-34(23-7-4-3-5-8-23)32-26(24)28-14-20-11-21(15-28)13-22(12-20)16-28/h3-5,7-8,17,20-22H,6,9-16H2,1-2H3,(H,30,35)