929845-87-4
1,2,5,6-TETRAHYDRO-5-[(1H-INDOL-5-YLAMINO)METHYLENE]-1-[2-(1H-INDOL-3-YL)ETHYL]-4-METHYL-2,6-DIOXO-3-PYRIDINECARBONITRILE
Name1,2,5,6-TETRAHYDRO-5-[(1H-INDOL-5-YLAMINO)METHYLENE]-1-[2-(1H-INDOL-3-YL)ETHYL]-4-METHYL-2,6-DIOXO-3-PYRIDINECARBONITRILE
1Identification
【Name】
1,2,5,6-TETRAHYDRO-5-[(1H-INDOL-5-YLAMINO)METHYLENE]-1-[2-(1H-INDOL-3-YL)ETHYL]-4-METHYL-2,6-DIOXO-3-PYRIDINECARBONITRILE
【CAS】
【MDL】
MFCD09847177
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C26 H21 N5 O2
【pro_molWeight】
435.485
【Inchi】
InChI=1S/C26H21N5O2/c1-16-21(13-27)25(32)31(11-9-18-14-30-24-5-3-2-4-20(18)24)26(33)22(16)15-29-19-6-7-23-17(12-19)8-10-28-23/h2-8,10,12,14-15,28-30H,9,11H2,1H3/b22-15-
【InChIKey】
InChIKey=ZRADMWLIYOWOEP-JCMHNJIXSA-N
【SMILES】
CC\1=C(C(=O)N(C(=O)/C1=C\Nc2ccc3c(c2)cc[nH]3)CCc4c[nH]c5c4cccc5)C#N
【MOL File】
1,2,5,6-TETRAHYDRO-5….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:3
pro_acceptors:7
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1,2,5,6-TETRAHYDRO-5-[(1H-INDOL-5-YLAMINO)METHYLENE]-1-[2-(1H-INDOL-3-YL)ETHYL]-4-METHYL-2,6-DIOXO-3-PYRIDINECARBONITRILE.cml