912564-51-3
1,2-DIHYDRO-2-METHYL-4-(4-METHYLPHENYL)-1-OXO-3-ISOQUINOLINECARBONITRILE
Name1,2-DIHYDRO-2-METHYL-4-(4-METHYLPHENYL)-1-OXO-3-ISOQUINOLINECARBONITRILE
1Identification
【Name】
1,2-DIHYDRO-2-METHYL-4-(4-METHYLPHENYL)-1-OXO-3-ISOQUINOLINECARBONITRILE
【CAS】
【MDL】
MFCD13191847
【English Synonyms】
【Formula】
C18 H14 N2 O
【MolWeight】
274.322
【Inchi】
InChI=1S/C18H14N2O/c1-12-7-9-13(10-8-12)17-14-5-3-4-6-15(14)18(21)20(2)16(17)11-19/h3-10H,1-2H3
【InChIKey】
InChIKey=ZHBZBRNOARFSNP-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)c2c3ccccc3c(=O)n(c2C#N)C
【MOL File】
1,2-DIHYDRO-2-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,2-DIHYDRO-2-METHYL-4-(4-METHYLPHENYL)-1-OXO-3-ISOQUINOLINECARBONITRILE.cml