N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]propanamide

Systemtic Name: N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]propanamide Openeye Name: N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-yl]propanamide CAS Name: N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-(8-nitro-5-isoquinolinyl)-1-piperazinyl]propanamide IUPAC Name: N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]propanamide Traditional Name: N-(3-fluorobenzyl)-N-methyl-2-[4-(8-nitro-5-isoquinolyl)piperazino]propionamide Formula: C24H26FN5O3 MolecularWeight: 451.493343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC(=CC=C1)F)N2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N(C)CC1=CC(=CC=C1)F)N2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

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