N-(1-adamantyl)-2-chloranyl-5-[2-(3-oxidanylpropylamino)ethylamino]benzamide

Systemtic Name: N-(1-adamantyl)-2-chloranyl-5-[2-(3-oxidanylpropylamino)ethylamino]benzamide Openeye Name: N-(1-adamantyl)-2-chloro-5-[2-(3-hydroxypropylamino)ethylamino]benzamide CAS Name: N-(1-adamantyl)-2-chloro-5-[2-(3-hydroxypropylamino)ethylamino]benzamide IUPAC Name: N-(1-adamantyl)-2-chloro-5-[2-(3-hydroxypropylamino)ethylamino]benzamide Traditional Name: N-(1-adamantyl)-2-chloro-5-[2-(3-hydroxypropylamino)ethylamino]benzamide Formula: C22H32ClN3O2 MolecularWeight: 405.96138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32ClN3O2/c23-20-3-2-18(25-6-5-24-4-1-7-27)11-19(20)21(28)26-22-12-15-8-16(13-22)10-17(9-15)14-22/h2-3,11,15-17,24-25,27H,1,4-10,12-14H2,(H,26,28)