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

Systemtic Name: 3-(1-adamantyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[(1,3-dimethyl-4-pyrazolyl)methyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-phenyl-pyrazole-4-carboxamide Formula: C26H31N5O MolecularWeight: 429.55724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CNC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)C

Isomeric SMILES

CC1=NN(C=C1CNC(=O)C2=CN(N=C2C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)C

InChI

InChI=1S/C26H31N5O/c1-17-21(15-30(2)28-17)14-27-25(32)23-16-31(22-6-4-3-5-7-22)29-24(23)26-11-18-8-19(12-26)10-20(9-18)13-26/h3-7,15-16,18-20H,8-14H2,1-2H3,(H,27,32)