N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanyl-quinolin-3-yl]methyl]-3-(3-methylpyrazol-1-yl)propanamide

Systemtic Name: N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanyl-quinolin-3-yl]methyl]-3-(3-methylpyrazol-1-yl)propanamide Openeye Name: N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanyl-3-quinolyl]methyl]-3-(3-methylpyrazol-1-yl)propanamide CAS Name: N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-(methylthio)-3-quinolinyl]methyl]-3-(3-methyl-1-pyrazolyl)propanamide IUPAC Name: N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-3-(3-methylpyrazol-1-yl)propanamide Traditional Name: N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-(methylthio)-3-quinolyl]methyl]-3-(3-methylpyrazol-1-yl)propionamide Formula: C28H30N4O2S MolecularWeight: 486.6284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)CCC(=O)N(CC2=C(N=C3C=C(C=CC3=C2)SC)C4=CC(=CC=C4)OC)C5CC5

Isomeric SMILES

CC1=NN(C=C1)CCC(=O)N(CC2=C(N=C3C=C(C=CC3=C2)SC)C4=CC(=CC=C4)OC)C5CC5

InChI

InChI=1S/C28H30N4O2S/c1-19-11-13-31(30-19)14-12-27(33)32(23-8-9-23)18-22-15-20-7-10-25(35-3)17-26(20)29-28(22)21-5-4-6-24(16-21)34-2/h4-7,10-11,13,15-17,23H,8-9,12,14,18H2,1-3H3