N-octadecyl-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-octadecyl-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: 1-[(4-isopropylphenoxy)methyl]-N-octadecyl-pyrazole-3-carboxamide CAS Name: N-octadecyl-1-[(4-propan-2-ylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-octadecyl-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: 1-[(4-isopropylphenoxy)methyl]-N-stearyl-pyrazole-3-carboxamide Formula: C32H53N3O2 MolecularWeight: 511.78212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1=NN(C=C1)COC2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1=NN(C=C1)COC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C32H53N3O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-33-32(36)31-24-26-35(34-31)27-37-30-22-20-29(21-23-30)28(2)3/h20-24,26,28H,4-19,25,27H2,1-3H3,(H,33,36)