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

Systemtic Name: (2R)-1-methyl-N-[4-[2-(3-oxidanylidene-5-propyl-1,2-dihydropyrazol-4-yl)quinolin-4-yl]sulfanylphenyl]pyrrolidine-2-carboxamide Openeye Name: (2R)-1-methyl-N-[4-[[2-(3-oxo-5-propyl-1,2-dihydropyrazol-4-yl)-4-quinolyl]sulfanyl]phenyl]pyrrolidine-2-carboxamide CAS Name: (2R)-1-methyl-N-[4-[[2-(3-oxo-5-propyl-1,2-dihydropyrazol-4-yl)-4-quinolinyl]thio]phenyl]-2-pyrrolidinecarboxamide IUPAC Name: (2R)-1-methyl-N-[4-[2-(3-oxo-5-propyl-1,2-dihydropyrazol-4-yl)quinolin-4-yl]sulfanylphenyl]pyrrolidine-2-carboxamide Traditional Name: (2R)-N-[4-[[2-(3-keto-5-propyl-3-pyrazolin-4-yl)-4-quinolyl]thio]phenyl]-1-methyl-pyrrolidine-2-carboxamide Formula: C27H29N5O2S MolecularWeight: 487.61646

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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)C5CCCN5C

Isomeric SMILES

CCCC1=C(C(=O)NN1)C2=NC3=CC=CC=C3C(=C2)SC4=CC=C(C=C4)NC(=O)[C@H]5CCCN5C

InChI

InChI=1S/C27H29N5O2S/c1-3-7-21-25(27(34)31-30-21)22-16-24(19-8-4-5-9-20(19)29-22)35-18-13-11-17(12-14-18)28-26(33)23-10-6-15-32(23)2/h4-5,8-9,11-14,16,23H,3,6-7,10,15H2,1-2H3,(H,28,33)(H2,30,31,34)/t23-/m1/s1