1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-7-methylsulfanyl-quinolin-2-one

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-7-methylsulfanyl-quinolin-2-one Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-7-methylsulfanyl-quinolin-2-one CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[[(1,3-dimethyl-4-pyrazolyl)methylamino]methyl]-7-(methylthio)-2-quinolinone IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-7-methylsulfanylquinolin-2-one Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-7-(methylthio)carbostyril Formula: C26H28N4O3S MolecularWeight: 476.59052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CNCC2=CC3=C(C=C(C=C3)SC)N(C2=O)CC4COC5=CC=CC=C5O4)C

Isomeric SMILES

CC1=NN(C=C1CNCC2=CC3=C(C=C(C=C3)SC)N(C2=O)CC4COC5=CC=CC=C5O4)C

InChI

InChI=1S/C26H28N4O3S/c1-17-20(14-29(2)28-17)13-27-12-19-10-18-8-9-22(34-3)11-23(18)30(26(19)31)15-21-16-32-24-6-4-5-7-25(24)33-21/h4-11,14,21,27H,12-13,15-16H2,1-3H3