N-hexyl-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-hexyl-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-hexyl-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-hexyl-1-[(4-phenylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-hexyl-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-hexyl-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide Formula: C23H27N3O2 MolecularWeight: 377.47938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=NN(C=C1)COC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCNC(=O)C1=NN(C=C1)COC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H27N3O2/c1-2-3-4-8-16-24-23(27)22-15-17-26(25-22)18-28-21-13-11-20(12-14-21)19-9-6-5-7-10-19/h5-7,9-15,17H,2-4,8,16,18H2,1H3,(H,24,27)