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

Systemtic Name: 5-[2-(2-acetamidoethylamino)ethylamino]-N-(1-adamantylmethyl)-2-chloranyl-benzamide; ethanoic acid Openeye Name: 5-[2-(2-acetamidoethylamino)ethylamino]-N-(1-adamantylmethyl)-2-chloro-benzamide; acetic acid CAS Name: 5-[2-(2-acetamidoethylamino)ethylamino]-N-(1-adamantylmethyl)-2-chlorobenzamide; acetic acid IUPAC Name: 5-[2-(2-acetamidoethylamino)ethylamino]-N-(1-adamantylmethyl)-2-chlorobenzamide; acetic acid Traditional Name: 5-[2-(2-acetamidoethylamino)ethylamino]-N-(1-adamantylmethyl)-2-chloro-benzamide; acetic acid Formula: C26H39ClN4O4 MolecularWeight: 507.06526

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNCCNC1=CC(=C(C=C1)Cl)C(=O)NCC23CC4CC(C2)CC(C4)C3.CC(=O)O

Isomeric SMILES

CC(=O)NCCNCCNC1=CC(=C(C=C1)Cl)C(=O)NCC23CC4CC(C2)CC(C4)C3.CC(=O)O

InChI

InChI=1S/C24H35ClN4O2.C2H4O2/c1-16(30)27-6-4-26-5-7-28-20-2-3-22(25)21(11-20)23(31)29-15-24-12-17-8-18(13-24)10-19(9-17)14-24;1-2(3)4/h2-3,11,17-19,26,28H,4-10,12-15H2,1H3,(H,27,30)(H,29,31);1H3,(H,3,4)