N-[4-[2-(3-oxidanylidene-5-propyl-1,2-dihydropyrazol-4-yl)quinolin-4-yl]sulfanylphenyl]cyclopentanecarboxamide

Systemtic Name: N-[4-[2-(3-oxidanylidene-5-propyl-1,2-dihydropyrazol-4-yl)quinolin-4-yl]sulfanylphenyl]cyclopentanecarboxamide Openeye Name: N-[4-[[2-(3-oxo-5-propyl-1,2-dihydropyrazol-4-yl)-4-quinolyl]sulfanyl]phenyl]cyclopentanecarboxamide CAS Name: N-[4-[[2-(3-oxo-5-propyl-1,2-dihydropyrazol-4-yl)-4-quinolinyl]thio]phenyl]cyclopentanecarboxamide IUPAC Name: N-[4-[2-(3-oxo-5-propyl-1,2-dihydropyrazol-4-yl)quinolin-4-yl]sulfanylphenyl]cyclopentanecarboxamide Traditional Name: N-[4-[[2-(3-keto-5-propyl-3-pyrazolin-4-yl)-4-quinolyl]thio]phenyl]cyclopentanecarboxamide Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)NN1)C2=NC3=CC=CC=C3C(=C2)SC4=CC=C(C=C4)NC(=O)C5CCCC5

Isomeric SMILES

CCCC1=C(C(=O)NN1)C2=NC3=CC=CC=C3C(=C2)SC4=CC=C(C=C4)NC(=O)C5CCCC5

InChI

InChI=1S/C27H28N4O2S/c1-2-7-22-25(27(33)31-30-22)23-16-24(20-10-5-6-11-21(20)29-23)34-19-14-12-18(13-15-19)28-26(32)17-8-3-4-9-17/h5-6,10-17H,2-4,7-9H2,1H3,(H,28,32)(H2,30,31,33)