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Summary Geometry Related PDB entries

N5T

Summary

Name:	(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE
Formula:	C19 H18 F2 N2 O
Formal charge:	0
Formula weight:	328.356 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	(2S)-4-(2,5-difluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
OpenEye OEToolkits	1.5.0	(2S)-4-(2,5-difluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(N(C)C)N2CC(=CC2c1ccccc1)c3cc(F)ccc3F
SMILES_CANONICAL	CACTVS	3.341	CN(C)C(=O)N1CC(=C[C@H]1c2ccccc2)c3cc(F)ccc3F
SMILES	CACTVS	3.341	CN(C)C(=O)N1CC(=C[CH]1c2ccccc2)c3cc(F)ccc3F
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	CN(C)C(=O)N1CC(=C[C@H]1c2ccccc2)c3cc(ccc3F)F
SMILES	OpenEye OEToolkits	1.5.0	CN(C)C(=O)N1CC(=CC1c2ccccc2)c3cc(ccc3F)F
InChI	InChI	1.03	InChI=1S/C19H18F2N2O/c1-22(2)19(24)23-12-14(16-11-15(20)8-9-17(16)21)10-18(23)13-6-4-3-5-7-13/h3-11,18H,12H2,1-2H3/t18-/m0/s1
InChIKey	InChI	1.03	WFFMEXQHWXEKBV-SFHVURJKSA-N

227111

건을2024-11-06부터공개중

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