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39H

Summary
Name:2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)acetamide
Synonyms:D67
Formula:C23 H21 N3 O3
Formal charge:0
Formula weight:387.431 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)acetamide
OpenEye OEToolkits1.7.62-(3-methyl-4-oxidanylidene-phthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C2c1ccccc1C(=NN2C)CC(=O)Nc5cc3c(oc4c3CCCC4)cc5
InChIInChI1.03InChI=1S/C23H21N3O3/c1-26-23(28)17-8-3-2-6-15(17)19(25-26)13-22(27)24-14-10-11-21-18(12-14)16-7-4-5-9-20(16)29-21/h2-3,6,8,10-12H,4-5,7,9,13H2,1H3,(H,24,27)
InChIKeyInChI1.03GMQDVIPGHXODOQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN1N=C(CC(=O)Nc2ccc3oc4CCCCc4c3c2)c5ccccc5C1=O
SMILESCACTVS3.385CN1N=C(CC(=O)Nc2ccc3oc4CCCCc4c3c2)c5ccccc5C1=O
SMILES_CANONICALOpenEye OEToolkits1.7.6CN1C(=O)c2ccccc2C(=N1)CC(=O)Nc3ccc4c(c3)c5c(o4)CCCC5
SMILESOpenEye OEToolkits1.7.6CN1C(=O)c2ccccc2C(=N1)CC(=O)Nc3ccc4c(c3)c5c(o4)CCCC5

222415

数据于2024-07-10公开中

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