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Summary Geometry Related PDB entries

IJT

Summary

Name:	2-methyl-3-{[(4R)-1-methyl-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]methoxy}quinoxaline
Formula:	C20 H20 N4 O
Formal charge:	0
Formula weight:	332.399 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-methyl-3-{[(4R)-1-methyl-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]methoxy}quinoxaline
OpenEye OEToolkits	2.0.7	2-methyl-3-[(1-methyl-4-phenyl-4,5-dihydroimidazol-2-yl)methoxy]quinoxaline

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CN1CC(N=C1COc1nc2ccccc2nc1C)c1ccccc1
InChI	InChI	1.03	InChI=1S/C20H20N4O/c1-14-20(23-17-11-7-6-10-16(17)21-14)25-13-19-22-18(12-24(19)2)15-8-4-3-5-9-15/h3-11,18H,12-13H2,1-2H3/t18-/m0/s1
InChIKey	InChI	1.03	PHLMYYFMVZEYAM-SFHVURJKSA-N
SMILES_CANONICAL	CACTVS	3.385	CN1C[C@H](N=C1COc2nc3ccccc3nc2C)c4ccccc4
SMILES	CACTVS	3.385	CN1C[CH](N=C1COc2nc3ccccc3nc2C)c4ccccc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1c(nc2ccccc2n1)OCC3=NC(CN3C)c4ccccc4
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(nc2ccccc2n1)OCC3=NC(CN3C)c4ccccc4

222415

數據於2024-07-10公開中

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