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

Systemtic Name: 4-(dimethylamino)-N-[4-[2-(3-oxidanylidene-5-propyl-1,2-dihydropyrazol-4-yl)quinolin-4-yl]sulfanylphenyl]butanamide Openeye Name: 4-(dimethylamino)-N-[4-[[2-(3-oxo-5-propyl-1,2-dihydropyrazol-4-yl)-4-quinolyl]sulfanyl]phenyl]butanamide CAS Name: 4-(dimethylamino)-N-[4-[[2-(3-oxo-5-propyl-1,2-dihydropyrazol-4-yl)-4-quinolinyl]thio]phenyl]butanamide IUPAC Name: 4-(dimethylamino)-N-[4-[2-(3-oxo-5-propyl-1,2-dihydropyrazol-4-yl)quinolin-4-yl]sulfanylphenyl]butanamide Traditional Name: 4-(dimethylamino)-N-[4-[[2-(3-keto-5-propyl-3-pyrazolin-4-yl)-4-quinolyl]thio]phenyl]butyramide Formula: C27H31N5O2S MolecularWeight: 489.63234

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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)CCCN(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H31N5O2S/c1-4-8-22-26(27(34)31-30-22)23-17-24(20-9-5-6-10-21(20)29-23)35-19-14-12-18(13-15-19)28-25(33)11-7-16-32(2)3/h5-6,9-10,12-15,17H,4,7-8,11,16H2,1-3H3,(H,28,33)(H2,30,31,34)