N-(furan-2-ylmethyl)-N-[[7-methylsulfanyl-2-(4-oxidanylpiperidin-1-yl)quinolin-3-yl]methyl]-4-pyrazol-1-yl-benzamide

Systemtic Name: N-(furan-2-ylmethyl)-N-[[7-methylsulfanyl-2-(4-oxidanylpiperidin-1-yl)quinolin-3-yl]methyl]-4-pyrazol-1-yl-benzamide Openeye Name: N-(2-furylmethyl)-N-[[2-(4-hydroxy-1-piperidyl)-7-methylsulfanyl-3-quinolyl]methyl]-4-pyrazol-1-yl-benzamide CAS Name: N-(2-furanylmethyl)-N-[[2-(4-hydroxy-1-piperidinyl)-7-(methylthio)-3-quinolinyl]methyl]-4-(1-pyrazolyl)benzamide IUPAC Name: N-(furan-2-ylmethyl)-N-[[2-(4-hydroxypiperidin-1-yl)-7-methylsulfanylquinolin-3-yl]methyl]-4-pyrazol-1-ylbenzamide Traditional Name: N-(2-furfuryl)-N-[[2-(4-hydroxypiperidino)-7-(methylthio)-3-quinolyl]methyl]-4-pyrazol-1-yl-benzamide Formula: C31H31N5O3S MolecularWeight: 553.67454

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)CN(CC3=CC=CO3)C(=O)C4=CC=C(C=C4)N5C=CC=N5)N6CCC(CC6)O

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)CN(CC3=CC=CO3)C(=O)C4=CC=C(C=C4)N5C=CC=N5)N6CCC(CC6)O

InChI

InChI=1S/C31H31N5O3S/c1-40-28-10-7-23-18-24(30(33-29(23)19-28)34-15-11-26(37)12-16-34)20-35(21-27-4-2-17-39-27)31(38)22-5-8-25(9-6-22)36-14-3-13-32-36/h2-10,13-14,17-19,26,37H,11-12,15-16,20-21H2,1H3