1-[(2-chlorophenyl)methyl]-3-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]-7-methylsulfanyl-quinolin-2-one

Systemtic Name: 1-[(2-chlorophenyl)methyl]-3-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]-7-methylsulfanyl-quinolin-2-one Openeye Name: 1-[(2-chlorophenyl)methyl]-3-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]-7-methylsulfanyl-quinolin-2-one CAS Name: 1-[(2-chlorophenyl)methyl]-3-[[methyl-[2-(1-pyrazolyl)ethyl]amino]methyl]-7-(methylthio)-2-quinolinone IUPAC Name: 1-[(2-chlorophenyl)methyl]-3-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]-7-methylsulfanylquinolin-2-one Traditional Name: 1-(2-chlorobenzyl)-3-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]-7-(methylthio)carbostyril Formula: C24H25ClN4OS MolecularWeight: 452.9995

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN1C=CC=N1)CC2=CC3=C(C=C(C=C3)SC)N(C2=O)CC4=CC=CC=C4Cl

Isomeric SMILES

CN(CCN1C=CC=N1)CC2=CC3=C(C=C(C=C3)SC)N(C2=O)CC4=CC=CC=C4Cl

InChI

InChI=1S/C24H25ClN4OS/c1-27(12-13-28-11-5-10-26-28)16-20-14-18-8-9-21(31-2)15-23(18)29(24(20)30)17-19-6-3-4-7-22(19)25/h3-11,14-15H,12-13,16-17H2,1-2H3