3-[4-(3-chlorophenyl)piperazin-1-yl]propyl adamantane-1-carboxylate dichloride

Systemtic Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]propyl adamantane-1-carboxylate dichloride Openeye Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]propyl adamantane-1-carboxylate dichloride CAS Name: 1-adamantanecarboxylic acid 3-[4-(3-chlorophenyl)-1-piperazinyl]propyl ester dichloride IUPAC Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]propyl adamantane-1-carboxylate dichloride Traditional Name: adamantane-1-carboxylic acid 3-[4-(3-chlorophenyl)piperazino]propyl ester dichloride Formula: C24H33Cl3N2O2-2 MolecularWeight: 487.89002

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC(=CC=C5)Cl.[Cl-].[Cl-]

Isomeric SMILES

C1CN(CCN1CCCOC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC(=CC=C5)Cl.[Cl-].[Cl-]

InChI

InChI=1S/C24H33ClN2O2.2ClH/c25-21-3-1-4-22(14-21)27-8-6-26(7-9-27)5-2-10-29-23(28)24-15-18-11-19(16-24)13-20(12-18)17-24;;/h1,3-4,14,18-20H,2,5-13,15-17H2;2*1H/p-2