N-(1-adamantylmethyl)-4-methoxy-1-phenyl-pyrazole-3-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-4-methoxy-1-phenyl-pyrazole-3-carboxamide Openeye Name: N-(1-adamantylmethyl)-4-methoxy-1-phenyl-pyrazole-3-carboxamide CAS Name: N-(1-adamantylmethyl)-4-methoxy-1-phenyl-3-pyrazolecarboxamide IUPAC Name: N-(1-adamantylmethyl)-4-methoxy-1-phenylpyrazole-3-carboxamide Traditional Name: N-(1-adamantylmethyl)-4-methoxy-1-phenyl-pyrazole-3-carboxamide Formula: C22H27N3O2 MolecularWeight: 365.46868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)NCC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

Isomeric SMILES

COC1=CN(N=C1C(=O)NCC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

InChI

InChI=1S/C22H27N3O2/c1-27-19-13-25(18-5-3-2-4-6-18)24-20(19)21(26)23-14-22-10-15-7-16(11-22)9-17(8-15)12-22/h2-6,13,15-17H,7-12,14H2,1H3,(H,23,26)