N-(1-adamantylmethyl)-2-chloranyl-5-[3-[2-(1H-imidazol-5-yl)ethylamino]propyl]benzamide

Systemtic Name: N-(1-adamantylmethyl)-2-chloranyl-5-[3-[2-(1H-imidazol-5-yl)ethylamino]propyl]benzamide Openeye Name: N-(1-adamantylmethyl)-2-chloro-5-[3-[2-(1H-imidazol-5-yl)ethylamino]propyl]benzamide CAS Name: N-(1-adamantylmethyl)-2-chloro-5-[3-[2-(1H-imidazol-5-yl)ethylamino]propyl]benzamide IUPAC Name: N-(1-adamantylmethyl)-2-chloro-5-[3-[2-(1H-imidazol-5-yl)ethylamino]propyl]benzamide Traditional Name: N-(1-adamantylmethyl)-2-chloro-5-[3-[2-(1H-imidazol-5-yl)ethylamino]propyl]benzamide Formula: C26H35ClN4O MolecularWeight: 455.0353

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)CCCNCCC5=CN=CN5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)CCCNCCC5=CN=CN5)Cl

InChI

InChI=1S/C26H35ClN4O/c27-24-4-3-18(2-1-6-28-7-5-22-15-29-17-31-22)11-23(24)25(32)30-16-26-12-19-8-20(13-26)10-21(9-19)14-26/h3-4,11,15,17,19-21,28H,1-2,5-10,12-14,16H2,(H,29,31)(H,30,32)