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

Systemtic Name: 1-methyl-N-[4-[2-(3-oxidanylidene-5-propyl-1,2-dihydropyrazol-4-yl)quinolin-4-yl]sulfanylphenyl]piperidine-4-carboxamide Openeye Name: 1-methyl-N-[4-[[2-(3-oxo-5-propyl-1,2-dihydropyrazol-4-yl)-4-quinolyl]sulfanyl]phenyl]piperidine-4-carboxamide CAS Name: 1-methyl-N-[4-[[2-(3-oxo-5-propyl-1,2-dihydropyrazol-4-yl)-4-quinolinyl]thio]phenyl]-4-piperidinecarboxamide IUPAC Name: 1-methyl-N-[4-[2-(3-oxo-5-propyl-1,2-dihydropyrazol-4-yl)quinolin-4-yl]sulfanylphenyl]piperidine-4-carboxamide Traditional Name: N-[4-[[2-(3-keto-5-propyl-3-pyrazolin-4-yl)-4-quinolyl]thio]phenyl]-1-methyl-isonipecotamide Formula: C28H31N5O2S MolecularWeight: 501.64304

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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)C5CCN(CC5)C

Isomeric SMILES

CCCC1=C(C(=O)NN1)C2=NC3=CC=CC=C3C(=C2)SC4=CC=C(C=C4)NC(=O)C5CCN(CC5)C

InChI

InChI=1S/C28H31N5O2S/c1-3-6-23-26(28(35)32-31-23)24-17-25(21-7-4-5-8-22(21)30-24)36-20-11-9-19(10-12-20)29-27(34)18-13-15-33(2)16-14-18/h4-5,7-12,17-18H,3,6,13-16H2,1-2H3,(H,29,34)(H2,31,32,35)