2-[4-(1-chloranylisoquinolin-3-yl)piperazin-1-yl]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[4-(1-chloranylisoquinolin-3-yl)piperazin-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-(1-chloro-3-isoquinolyl)piperazin-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-(1-chloro-3-isoquinolinyl)-1-piperazinyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-(1-chloroisoquinolin-3-yl)piperazin-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-(1-chloro-3-isoquinolyl)piperazino]-N-(p-tolyl)acetamide Formula: C22H23ClN4O MolecularWeight: 394.89722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=CC4=CC=CC=C4C(=N3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=CC4=CC=CC=C4C(=N3)Cl

InChI

InChI=1S/C22H23ClN4O/c1-16-6-8-18(9-7-16)24-21(28)15-26-10-12-27(13-11-26)20-14-17-4-2-3-5-19(17)22(23)25-20/h2-9,14H,10-13,15H2,1H3,(H,24,28)