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NB0

Summary
Name:4-[4-(2-fluorophenyl)piperazine-1-carbonyl]quinolin-2(1H)-one
Formula:C20 H18 F N3 O2
Formal charge:0
Formula weight:351.374 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-[4-(2-fluorophenyl)piperazine-1-carbonyl]quinolin-2(1H)-one
OpenEye OEToolkits2.0.74-[4-(2-fluorophenyl)piperazin-1-yl]carbonyl-1~{H}-quinolin-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(C1=CC(=O)Nc2ccccc21)N1CCN(CC1)c1ccccc1F
InChIInChI1.06InChI=1S/C20H18FN3O2/c21-16-6-2-4-8-18(16)23-9-11-24(12-10-23)20(26)15-13-19(25)22-17-7-3-1-5-14(15)17/h1-8,13H,9-12H2,(H,22,25)
InChIKeyInChI1.06ONQQLMKVMVPYKH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1ccccc1N2CCN(CC2)C(=O)C3=CC(=O)Nc4ccccc34
SMILESCACTVS3.385Fc1ccccc1N2CCN(CC2)C(=O)C3=CC(=O)Nc4ccccc34
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc2c(c1)C(=CC(=O)N2)C(=O)N3CCN(CC3)c4ccccc4F
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)C(=CC(=O)N2)C(=O)N3CCN(CC3)c4ccccc4F

222036

PDB entries from 2024-07-03

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