N-(1-adamantylmethyl)-2-chloranyl-5-[2-(3-oxidanylpropylamino)ethylamino]benzamide; ethanoic acid

Systemtic Name: N-(1-adamantylmethyl)-2-chloranyl-5-[2-(3-oxidanylpropylamino)ethylamino]benzamide; ethanoic acid Openeye Name: acetic acid; N-(1-adamantylmethyl)-2-chloro-5-[2-(3-hydroxypropylamino)ethylamino]benzamide CAS Name: acetic acid; N-(1-adamantylmethyl)-2-chloro-5-[2-(3-hydroxypropylamino)ethylamino]benzamide IUPAC Name: acetic acid; N-(1-adamantylmethyl)-2-chloro-5-[2-(3-hydroxypropylamino)ethylamino]benzamide Traditional Name: acetic acid; N-(1-adamantylmethyl)-2-chloro-5-[2-(3-hydroxypropylamino)ethylamino]benzamide Formula: C25H38ClN3O4 MolecularWeight: 480.03992

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)NCCNCCCO)Cl

Isomeric SMILES

CC(=O)O.C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)NCCNCCCO)Cl

InChI

InChI=1S/C23H34ClN3O2.C2H4O2/c24-21-3-2-19(26-6-5-25-4-1-7-28)11-20(21)22(29)27-15-23-12-16-8-17(13-23)10-18(9-16)14-23;1-2(3)4/h2-3,11,16-18,25-26,28H,1,4-10,12-15H2,(H,27,29);1H3,(H,3,4)