939893-98-8
6-AMINO-4-[4-(CYCLOPENTYLOXY)-3-METHOXYPHENYL]-3-METHYL-2,4-DIHYDROPYRANO[2,3-C]PYRAZOLE-5-CARBONITRILE
Name6-AMINO-4-[4-(CYCLOPENTYLOXY)-3-METHOXYPHENYL]-3-METHYL-2,4-DIHYDROPYRANO[2,3-C]PYRAZOLE-5-CARBONITRILE
1Identification
【Name】
6-AMINO-4-[4-(CYCLOPENTYLOXY)-3-METHOXYPHENYL]-3-METHYL-2,4-DIHYDROPYRANO[2,3-C]PYRAZOLE-5-CARBONITRILE
【CAS】
【MDL】
MFCD09757771
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C20 H22 N4 O3
【pro_molWeight】
366.419
【Inchi】
InChI=1S/C20H22N4O3/c1-11-17-18(14(10-21)19(22)27-20(17)24-23-11)12-7-8-15(16(9-12)25-2)26-13-5-3-4-6-13/h7-9,13,18H,3-6,22H2,1-2H3,(H,23,24)
【InChIKey】
InChIKey=JONLIPGJFKHYKK-UHFFFAOYSA-N
【SMILES】
Cc1c2c(n[nH]1)OC(=C(C2c3ccc(c(c3)OC)OC4CCCC4)C#N)N
【MOL File】
6-AMINO-4-[4-(CYCLOP….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:7
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
6-AMINO-4-[4-(CYCLOPENTYLOXY)-3-METHOXYPHENYL]-3-METHYL-2,4-DIHYDROPYRANO[2,3-C]PYRAZOLE-5-CARBONITRILE.cml