98

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Summary

Name:(4R)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
Formula:C10 H12 N2 O
Formal charge:0
Molecular weight:176.215 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(4R)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
OpenEye OEToolkits1.9.2(2R)-2-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CC1Nc2c(NC(C1)=O)cccc2
InChIInChI1.03InChI=1S/C10H12N2O/c1-7-6-10(13)12-9-5-3-2-4-8(9)11-7/h2-5,7,11H,6H2,1H3,(H,12,13)/t7-/m1/s1
InChIKeyInChI1.03BBPWQLMHOSRDMA-SSDOTTSWSA-N
SMILES_CANONICALCACTVS3.385C[C@@H]1CC(=O)Nc2ccccc2N1
SMILESCACTVS3.385C[CH]1CC(=O)Nc2ccccc2N1
SMILES_CANONICALOpenEye OEToolkits1.9.2C[C@@H]1CC(=O)Nc2ccccc2N1
SMILESOpenEye OEToolkits1.9.2CC1CC(=O)Nc2ccccc2N1
169436
PDB entries from 2020-09-30