N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]adamantane-1-carboxamide dichloride

Systemtic Name: N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]adamantane-1-carboxamide dichloride Openeye Name: N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]adamantane-1-carboxamide dichloride CAS Name: N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-1-adamantanecarboxamide dichloride IUPAC Name: N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]adamantane-1-carboxamide dichloride Traditional Name: N-[3-[4-(2-pyrimidyl)piperazino]propyl]adamantane-1-carboxamide dichloride Formula: C22H33Cl2N5O-2 MolecularWeight: 454.43632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNC(=O)C23CC4CC(C2)CC(C4)C3)C5=NC=CC=N5.[Cl-].[Cl-]

Isomeric SMILES

C1CN(CCN1CCCNC(=O)C23CC4CC(C2)CC(C4)C3)C5=NC=CC=N5.[Cl-].[Cl-]

InChI

InChI=1S/C22H33N5O.2ClH/c28-20(22-14-17-11-18(15-22)13-19(12-17)16-22)23-5-2-6-26-7-9-27(10-8-26)21-24-3-1-4-25-21;;/h1,3-4,17-19H,2,5-16H2,(H,23,28);2*1H/p-2