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V1B

Summary
Name:7-isoquinolin-4-yl-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione
Formula:C21 H17 N3 O2
Formal charge:0
Formula weight:343.379 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.77-isoquinolin-4-yl-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C21H17N3O2/c25-19-21(10-16(11-21)14-6-2-1-3-7-14)23-20(26)24(19)18-13-22-12-15-8-4-5-9-17(15)18/h1-9,12-13,16H,10-11H2,(H,23,26)/t16-,21+
InChIKeyInChI1.03BWBPGOKJGLWQEA-NBEIKUQISA-N
SMILES_CANONICALCACTVS3.385O=C1N[C@]2(C[C@H](C2)c3ccccc3)C(=O)N1c4cncc5ccccc45
SMILESCACTVS3.385O=C1N[C]2(C[CH](C2)c3ccccc3)C(=O)N1c4cncc5ccccc45
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)C2CC3(C2)C(=O)N(C(=O)N3)c4cncc5c4cccc5
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)C2CC3(C2)C(=O)N(C(=O)N3)c4cncc5c4cccc5

222926

數據於2024-07-24公開中

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