39H

2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)acetamide

Created:	2014-07-10
Last modified:	2021-03-01

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1 entries where 39H is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	50
Chiral Atom Count	0
Bond Count	54
Aromatic Bond Count	16

2D diagram of 39H

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Chemical Component 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
Systematic Name (OpenEye OEToolkits)	2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzofuran-2-yl)ethanamide
Formula	C₂₃ H₂₁ N₃ O₃
Molecular Weight	387.431
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C2c1ccccc1C(=NN2C)CC(=O)Nc5cc3c(oc4c3CCCC4)cc5
SMILES	CACTVS	3.385	CN1N=C(CC(=O)Nc2ccc3oc4CCCCc4c3c2)c5ccccc5C1=O
SMILES	OpenEye OEToolkits	1.7.6	CN1C(=O)c2ccccc2C(=N1)CC(=O)Nc3ccc4c(c3)c5c(o4)CCCC5
Canonical SMILES	CACTVS	3.385	CN1N=C(CC(=O)Nc2ccc3oc4CCCCc4c3c2)c5ccccc5C1=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	CN1C(=O)c2ccccc2C(=N1)CC(=O)Nc3ccc4c(c3)c5c(o4)CCCC5
InChI	InChI	1.03	InChI=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)
InChIKey	InChI	1.03	GMQDVIPGHXODOQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	71552341
ChEMBL	CHEMBL2315283

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