09Q

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Summary

Name:1-(5-phenylpyridin-3-yl)-1,4-diazepane
Formula:C16 H19 N3
Formal charge:0
Molecular weight:253.342 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-(5-phenylpyridin-3-yl)-1,4-diazepane
OpenEye OEToolkits1.7.21-(5-phenylpyridin-3-yl)-1,4-diazepane

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n2cc(cc(c1ccccc1)c2)N3CCCNCC3
InChIInChI1.03InChI=1S/C16H19N3/c1-2-5-14(6-3-1)15-11-16(13-18-12-15)19-9-4-7-17-8-10-19/h1-3,5-6,11-13,17H,4,7-10H2
InChIKeyInChI1.03YAWZOEAWIFAGIV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370C1CNCCN(C1)c2cncc(c2)c3ccccc3
SMILESCACTVS3.370C1CNCCN(C1)c2cncc(c2)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.7.2c1ccc(cc1)c2cc(cnc2)N3CCCNCC3
SMILESOpenEye OEToolkits1.7.2c1ccc(cc1)c2cc(cnc2)N3CCCNCC3
167327
PDB entries from 2020-08-05