2-(1-adamantyl)-1-[4-(7-chloranylquinolin-4-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(1-adamantyl)-1-[4-(7-chloranylquinolin-4-yl)piperazin-1-yl]ethanone Openeye Name: 2-(1-adamantyl)-1-[4-(7-chloro-4-quinolyl)piperazin-1-yl]ethanone CAS Name: 2-(1-adamantyl)-1-[4-(7-chloro-4-quinolinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1-adamantyl)-1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethanone Traditional Name: 2-(1-adamantyl)-1-[4-(7-chloro-4-quinolyl)piperazino]ethanone Formula: C25H30ClN3O MolecularWeight: 423.9782

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=CC(=CC3=NC=C2)Cl)C(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1C2=C3C=CC(=CC3=NC=C2)Cl)C(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H30ClN3O/c26-20-1-2-21-22(12-20)27-4-3-23(21)28-5-7-29(8-6-28)24(30)16-25-13-17-9-18(14-25)11-19(10-17)15-25/h1-4,12,17-19H,5-11,13-16H2