2-(1-adamantyl)-N-[6-chloranyl-2-(piperazin-1-ylmethyl)quinolin-5-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[6-chloranyl-2-(piperazin-1-ylmethyl)quinolin-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[6-chloro-2-(piperazin-1-ylmethyl)-5-quinolyl]acetamide CAS Name: 2-(1-adamantyl)-N-[6-chloro-2-(1-piperazinylmethyl)-5-quinolinyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[6-chloro-2-(piperazin-1-ylmethyl)quinolin-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[6-chloro-2-(piperazinomethyl)-5-quinolyl]acetamide Formula: C26H33ClN4O MolecularWeight: 453.01942

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC2=NC3=C(C=C2)C(=C(C=C3)Cl)NC(=O)CC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1)CC2=NC3=C(C=C2)C(=C(C=C3)Cl)NC(=O)CC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H33ClN4O/c27-22-3-4-23-21(2-1-20(29-23)16-31-7-5-28-6-8-31)25(22)30-24(32)15-26-12-17-9-18(13-26)11-19(10-17)14-26/h1-4,17-19,28H,5-16H2,(H,30,32)