N-[1-(4-fluorophenyl)ethyl]-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]propanamide

Systemtic Name: N-[1-(4-fluorophenyl)ethyl]-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]propanamide Openeye Name: N-[1-(4-fluorophenyl)ethyl]-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-yl]propanamide CAS Name: N-[1-(4-fluorophenyl)ethyl]-2-[4-(8-nitro-5-isoquinolinyl)-1-piperazinyl]propanamide IUPAC Name: N-[1-(4-fluorophenyl)ethyl]-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]propanamide Traditional Name: N-[1-(4-fluorophenyl)ethyl]-2-[4-(8-nitro-5-isoquinolyl)piperazino]propionamide Formula: C24H26FN5O3 MolecularWeight: 451.493343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26FN5O3/c1-16(18-3-5-19(25)6-4-18)27-24(31)17(2)28-11-13-29(14-12-28)22-7-8-23(30(32)33)21-15-26-10-9-20(21)22/h3-10,15-17H,11-14H2,1-2H3,(H,27,31)