N-(3-chloranyl-4-fluoranyl-phenyl)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]propanamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]propanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-yl]propanamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[4-(8-nitro-5-isoquinolinyl)-1-piperazinyl]propanamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]propanamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[4-(8-nitro-5-isoquinolyl)piperazino]propionamide Formula: C22H21ClFN5O3 MolecularWeight: 457.885243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)Cl)N2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)F)Cl)N2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H21ClFN5O3/c1-14(22(30)26-15-2-3-19(24)18(23)12-15)27-8-10-28(11-9-27)20-4-5-21(29(31)32)17-13-25-7-6-16(17)20/h2-7,12-14H,8-11H2,1H3,(H,26,30)