N-(1-adamantylmethyl)-5-[[(4-azanylcyclohexyl)amino]methyl]-2-chloranyl-benzamide

Systemtic Name: N-(1-adamantylmethyl)-5-[[(4-azanylcyclohexyl)amino]methyl]-2-chloranyl-benzamide Openeye Name: N-(1-adamantylmethyl)-5-[[(4-aminocyclohexyl)amino]methyl]-2-chloro-benzamide CAS Name: N-(1-adamantylmethyl)-5-[[(4-aminocyclohexyl)amino]methyl]-2-chlorobenzamide IUPAC Name: N-(1-adamantylmethyl)-5-[[(4-aminocyclohexyl)amino]methyl]-2-chlorobenzamide Traditional Name: N-(1-adamantylmethyl)-5-[[(4-aminocyclohexyl)amino]methyl]-2-chloro-benzamide Formula: C25H36ClN3O MolecularWeight: 430.02584

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N)NCC2=CC(=C(C=C2)Cl)C(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CC(CCC1N)NCC2=CC(=C(C=C2)Cl)C(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H36ClN3O/c26-23-6-1-16(14-28-21-4-2-20(27)3-5-21)10-22(23)24(30)29-15-25-11-17-7-18(12-25)9-19(8-17)13-25/h1,6,10,17-21,28H,2-5,7-9,11-15,27H2,(H,29,30)