N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]adamantane-1-carboxamide dihydrochloride

Systemtic Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]adamantane-1-carboxamide dihydrochloride Openeye Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]adamantane-1-carboxamide dihydrochloride CAS Name: N-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-1-adamantanecarboxamide dihydrochloride IUPAC Name: N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]adamantane-1-carboxamide dihydrochloride Traditional Name: N-[3-[4-(3-chlorophenyl)piperazino]propyl]adamantane-1-carboxamide dihydrochloride Formula: C24H36Cl3N3O MolecularWeight: 488.92114

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC(=CC=C5)Cl.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCCNC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC(=CC=C5)Cl.Cl.Cl

InChI

InChI=1S/C24H34ClN3O.2ClH/c25-21-3-1-4-22(14-21)28-9-7-27(8-10-28)6-2-5-26-23(29)24-15-18-11-19(16-24)13-20(12-18)17-24;;/h1,3-4,14,18-20H,2,5-13,15-17H2,(H,26,29);2*1H