3-(1-adamantyl)-N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-1-phenyl-pyrazole-4-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N5O/c1-3-31-17-22(15-28-31)16-30(2)26(33)24-18-32(23-7-5-4-6-8-23)29-25(24)27-12-19-9-20(13-27)11-21(10-19)14-27/h4-8,15,17-21H,3,9-14,16H2,1-2H3