N-(1-adamantylmethyl)-2-chloranyl-5-[3-(3-methoxypropylamino)propyl]benzamide dihydrochloride

Systemtic Name: N-(1-adamantylmethyl)-2-chloranyl-5-[3-(3-methoxypropylamino)propyl]benzamide dihydrochloride Openeye Name: N-(1-adamantylmethyl)-2-chloro-5-[3-(3-methoxypropylamino)propyl]benzamide dihydrochloride CAS Name: N-(1-adamantylmethyl)-2-chloro-5-[3-(3-methoxypropylamino)propyl]benzamide dihydrochloride IUPAC Name: N-(1-adamantylmethyl)-2-chloro-5-[3-(3-methoxypropylamino)propyl]benzamide dihydrochloride Traditional Name: N-(1-adamantylmethyl)-2-chloro-5-[3-(3-methoxypropylamino)propyl]benzamide dihydrochloride Formula: C25H39Cl3N2O2 MolecularWeight: 505.94836

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNCCCC1=CC(=C(C=C1)Cl)C(=O)NCC23CC4CC(C2)CC(C4)C3.Cl.Cl

Isomeric SMILES

COCCCNCCCC1=CC(=C(C=C1)Cl)C(=O)NCC23CC4CC(C2)CC(C4)C3.Cl.Cl

InChI

InChI=1S/C25H37ClN2O2.2ClH/c1-30-9-3-8-27-7-2-4-18-5-6-23(26)22(13-18)24(29)28-17-25-14-19-10-20(15-25)12-21(11-19)16-25;;/h5-6,13,19-21,27H,2-4,7-12,14-17H2,1H3,(H,28,29);2*1H