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MD7

Summary
Name:(2Z)-N-biphenyl-4-yl-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide
Synonyms:N-(Biphenyl-4-yl)-2-cyano-3-cyclopropyl-3-hydroxyacrylamide
Formula:C19 H16 N2 O2
Formal charge:0
Formula weight:304.343 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2Z)-N-biphenyl-4-yl-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide
OpenEye OEToolkits1.5.0(Z)-2-cyano-3-cyclopropyl-3-hydroxy-N-(4-phenylphenyl)prop-2-enamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(C(\C#N)=C(/O)C1CC1)Nc3ccc(c2ccccc2)cc3
SMILES_CANONICALCACTVS3.341OC(/C1CC1)=C(/C#N)C(=O)Nc2ccc(cc2)c3ccccc3
SMILESCACTVS3.341OC(C1CC1)=C(C#N)C(=O)Nc2ccc(cc2)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)c2ccc(cc2)NC(=O)/C(=C(/C3CC3)\O)/C#N
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)c2ccc(cc2)NC(=O)C(=C(C3CC3)O)C#N
InChIInChI1.03InChI=1S/C19H16N2O2/c20-12-17(18(22)15-6-7-15)19(23)21-16-10-8-14(9-11-16)13-4-2-1-3-5-13/h1-5,8-11,15,22H,6-7H2,(H,21,23)/b18-17-
InChIKeyInChI1.03CAGGGMPTWTUYHZ-ZCXUNETKSA-N

219140

PDB entries from 2024-05-01

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