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

Systemtic Name: 3-(1-adamantyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[(2-ethyl-3-pyrazolyl)methyl]-N-methyl-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-[(2-ethylpyrazol-3-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(=CC=N1)CN(C)C(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

Isomeric SMILES

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

InChI

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