3-(3,5-dimethylpyrazol-1-yl)-N-[(7-methylsulfanyl-2-pyrrolidin-1-yl-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide

Systemtic Name: 3-(3,5-dimethylpyrazol-1-yl)-N-[(7-methylsulfanyl-2-pyrrolidin-1-yl-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide Openeye Name: 3-(3,5-dimethylpyrazol-1-yl)-N-[(7-methylsulfanyl-2-pyrrolidin-1-yl-3-quinolyl)methyl]-N-(tetrahydrofuran-2-ylmethyl)propanamide CAS Name: 3-(3,5-dimethyl-1-pyrazolyl)-N-[[7-(methylthio)-2-(1-pyrrolidinyl)-3-quinolinyl]methyl]-N-(2-oxolanylmethyl)propanamide IUPAC Name: 3-(3,5-dimethylpyrazol-1-yl)-N-[(7-methylsulfanyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide Traditional Name: 3-(3,5-dimethylpyrazol-1-yl)-N-[[7-(methylthio)-2-pyrrolidino-3-quinolyl]methyl]-N-(tetrahydrofurfuryl)propionamide Formula: C28H37N5O2S MolecularWeight: 507.69068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC(=O)N(CC2CCCO2)CC3=C(N=C4C=C(C=CC4=C3)SC)N5CCCC5)C

Isomeric SMILES

CC1=CC(=NN1CCC(=O)N(CC2CCCO2)CC3=C(N=C4C=C(C=CC4=C3)SC)N5CCCC5)C

InChI

InChI=1S/C28H37N5O2S/c1-20-15-21(2)33(30-20)13-10-27(34)32(19-24-7-6-14-35-24)18-23-16-22-8-9-25(36-3)17-26(22)29-28(23)31-11-4-5-12-31/h8-9,15-17,24H,4-7,10-14,18-19H2,1-3H3