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Summary Geometry Related PDB entries

F4C

Summary

Name:	2-(4-fluorophenyl)-3-oxo-6-pyridin-4-yl-N-[2-(trifluoromethyl)benzyl]-2,3-dihydropyridazine-4-carboxamide
Formula:	C24 H16 F4 N4 O2
Formal charge:	0
Formula weight:	468.403 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	11.02	2-(4-fluorophenyl)-3-oxo-6-(pyridin-4-yl)-N-[2-(trifluoromethyl)benzyl]-2,3-dihydropyridazine-4-carboxamide
OpenEye OEToolkits	1.6.1	2-(4-fluorophenyl)-3-oxo-6-pyridin-4-yl-N-[[2-(trifluoromethyl)phenyl]methyl]pyridazine-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	11.02	FC(F)(F)c1ccccc1CNC(=O)C=2C(=O)N(N=C(C=2)c3ccncc3)c4ccc(F)cc4
SMILES_CANONICAL	CACTVS	3.352	Fc1ccc(cc1)N2N=C(C=C(C(=O)NCc3ccccc3C(F)(F)F)C2=O)c4ccncc4
SMILES	CACTVS	3.352	Fc1ccc(cc1)N2N=C(C=C(C(=O)NCc3ccccc3C(F)(F)F)C2=O)c4ccncc4
SMILES_CANONICAL	OpenEye OEToolkits	1.7.0	c1ccc(c(c1)CNC(=O)C2=CC(=NN(C2=O)c3ccc(cc3)F)c4ccncc4)C(F)(F)F
SMILES	OpenEye OEToolkits	1.7.0	c1ccc(c(c1)CNC(=O)C2=CC(=NN(C2=O)c3ccc(cc3)F)c4ccncc4)C(F)(F)F
InChI	InChI	1.03	InChI=1S/C24H16F4N4O2/c25-17-5-7-18(8-6-17)32-23(34)19(13-21(31-32)15-9-11-29-12-10-15)22(33)30-14-16-3-1-2-4-20(16)24(26,27)28/h1-13H,14H2,(H,30,33)
InChIKey	InChI	1.03	SZWDNHQJXXWUBD-UHFFFAOYSA-N

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PDB entries from 2024-04-24

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