Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

VOZ

Summary
Name:(6-cyclopropyl-1~{H}-indol-2-yl)-(5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)methanone
Formula:C21 H21 N3 O
Formal charge:0
Formula weight:331.411 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(6-cyclopropyl-1~{H}-indol-2-yl)-(5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)methanone

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C21H21N3O/c25-21(24-9-1-2-17-12-22-8-7-18(17)13-24)20-11-16-6-5-15(14-3-4-14)10-19(16)23-20/h5-8,10-12,14,23H,1-4,9,13H2
InChIKeyInChI1.06FOEUSFMNKKBIIE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C(N1CCCc2cnccc2C1)c3[nH]c4cc(ccc4c3)C5CC5
SMILESCACTVS3.385O=C(N1CCCc2cnccc2C1)c3[nH]c4cc(ccc4c3)C5CC5
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(cc2c1cc([nH]2)C(=O)N3CCCc4cnccc4C3)C5CC5
SMILESOpenEye OEToolkits2.0.7c1cc(cc2c1cc([nH]2)C(=O)N3CCCc4cnccc4C3)C5CC5

227344

數據於2024-11-13公開中

PDB statisticsPDBj update infoContact PDBjnumon