2-[4-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]-2-pentyl-phenoxy]-N-methyl-ethanamide

Systemtic Name: 2-[4-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]-2-pentyl-phenoxy]-N-methyl-ethanamide Openeye Name: 2-[4-[1-(3-imidazol-1-ylpropylamino)-1-methyl-ethyl]-2-pentyl-phenoxy]-N-methyl-acetamide CAS Name: 2-[4-[2-[3-(1-imidazolyl)propylamino]propan-2-yl]-2-pentylphenoxy]-N-methylacetamide IUPAC Name: 2-[4-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]-2-pentylphenoxy]-N-methylacetamide Traditional Name: 2-[2-amyl-4-[1-(3-imidazol-1-ylpropylamino)-1-methyl-ethyl]phenoxy]-N-methyl-acetamide Formula: C23H36N4O2 MolecularWeight: 400.55754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=CC(=C1)C(C)(C)NCCCN2C=CN=C2)OCC(=O)NC

Isomeric SMILES

CCCCCC1=C(C=CC(=C1)C(C)(C)NCCCN2C=CN=C2)OCC(=O)NC

InChI

InChI=1S/C23H36N4O2/c1-5-6-7-9-19-16-20(10-11-21(19)29-17-22(28)24-4)23(2,3)26-12-8-14-27-15-13-25-18-27/h10-11,13,15-16,18,26H,5-9,12,14,17H2,1-4H3,(H,24,28)