4UP

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Summary

Name:6-[(2S,3S)-3-phenyloxiran-2-yl]naphthalene-2-carboximidamide
Formula:C19 H16 N2 O
Formal charge:0
Molecular weight:288.343 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-[(2S,3S)-3-phenyloxiran-2-yl]naphthalene-2-carboximidamide
OpenEye OEToolkits1.7.66-[(2S,3S)-3-phenyloxiran-2-yl]naphthalene-2-carboximidamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01[N@H]=C(N)c2ccc1cc(ccc1c2)C4OC4c3ccccc3
InChIInChI1.03InChI=1S/C19H16N2O/c20-19(21)16-9-7-13-10-15(8-6-14(13)11-16)18-17(22-18)12-4-2-1-3-5-12/h1-11,17-18H,(H3,20,21)/t17-,18-/m0/s1
InChIKeyInChI1.03RZYGGGSOUBZFKW-ROUUACIJSA-N
SMILES_CANONICALCACTVS3.370NC(=N)c1ccc2cc(ccc2c1)[C@@H]3O[C@H]3c4ccccc4
SMILESCACTVS3.370NC(=N)c1ccc2cc(ccc2c1)[CH]3O[CH]3c4ccccc4
SMILES_CANONICALOpenEye OEToolkits1.7.6[H]/N=C(/c1ccc2cc(ccc2c1)[C@H]3[C@@H](O3)c4ccccc4)\N
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)C2C(O2)c3ccc4cc(ccc4c3)C(=N)N
171588
PDB entries from 2020-11-25