3-(1-adamantyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[3-(5-methyl-1-pyrazolyl)propyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1-phenyl-pyrazole-4-carboxamide Formula: C27H33N5O MolecularWeight: 443.58382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N5O/c1-19-8-10-29-31(19)11-5-9-28-26(33)24-18-32(23-6-3-2-4-7-23)30-25(24)27-15-20-12-21(16-27)14-22(13-20)17-27/h2-4,6-8,10,18,20-22H,5,9,11-17H2,1H3,(H,28,33)