2-[4-[2-(8-fluoranyl-3,4-dihydro-2H-quinolin-1-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(8-fluoranyl-3,4-dihydro-2H-quinolin-1-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperazino]sulfonylbenzonitrile Formula: C22H23FN4O3S MolecularWeight: 442.506423

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=CC=C2)F)N(C1)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CC2=C(C(=CC=C2)F)N(C1)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C22H23FN4O3S/c23-19-8-3-6-17-7-4-10-26(22(17)19)16-21(28)25-11-13-27(14-12-25)31(29,30)20-9-2-1-5-18(20)15-24/h1-3,5-6,8-9H,4,7,10-14,16H2