1-[(3,5-dimethylphenoxy)methyl]-N-[(2S)-1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide

Systemtic Name: 1-[(3,5-dimethylphenoxy)methyl]-N-[(2S)-1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide Openeye Name: 1-[(3,5-dimethylphenoxy)methyl]-N-[(1S)-2-(dipentylamino)-1-methyl-ethyl]pyrazole-3-carboxamide CAS Name: 1-[(3,5-dimethylphenoxy)methyl]-N-[(2S)-1-(dipentylamino)propan-2-yl]-3-pyrazolecarboxamide IUPAC Name: 1-[(3,5-dimethylphenoxy)methyl]-N-[(2S)-1-(dipentylamino)propan-2-yl]pyrazole-3-carboxamide Traditional Name: N-[(1S)-2-(diamylamino)-1-methyl-ethyl]-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide Formula: C26H42N4O2 MolecularWeight: 442.63728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)CC(C)NC(=O)C1=NN(C=C1)COC2=CC(=CC(=C2)C)C

Isomeric SMILES

CCCCCN(CCCCC)C[C@H](C)NC(=O)C1=NN(C=C1)COC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C26H42N4O2/c1-6-8-10-13-29(14-11-9-7-2)19-23(5)27-26(31)25-12-15-30(28-25)20-32-24-17-21(3)16-22(4)18-24/h12,15-18,23H,6-11,13-14,19-20H2,1-5H3,(H,27,31)/t23-/m0/s1