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Summary

Name:3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE
Synonyms:3-chloro-5-(3-(dimethylamino)propyl)-10,11-dihydro-5H-dibenz[b,f]azepine
Formula:C19 H23 Cl N2
Formal charge:0
Molecular weight:314.852 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-(3-chloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine
OpenEye OEToolkits1.5.03-(9-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-propan-1-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc1ccc3c(c1)N(c2ccccc2CC3)CCCN(C)C
SMILES_CANONICALCACTVS3.341CN(C)CCCN1c2ccccc2CCc3ccc(Cl)cc13
SMILESCACTVS3.341CN(C)CCCN1c2ccccc2CCc3ccc(Cl)cc13
SMILES_CANONICALOpenEye OEToolkits1.5.0CN(C)CCCN1c2ccccc2CCc3c1cc(cc3)Cl
SMILESOpenEye OEToolkits1.5.0CN(C)CCCN1c2ccccc2CCc3c1cc(cc3)Cl
InChIInChI1.03InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
InChIKeyInChI1.03GDLIGKIOYRNHDA-UHFFFAOYSA-N
171588
PDB entries from 2020-11-25