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A1ITW

Summary
Name:(3~{S})-3-[(3~{R})-3-phenylpiperidin-1-yl]carbonyl-2,3-dihydroinden-1-one
Synonyms:(3S)-3-[(3R)-3-phenylpiperidine-1-carbonyl]indan-1-one
Formula:C21 H21 N O2
Formal charge:0
Formula weight:319.397 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(3~{S})-3-[(3~{R})-3-phenylpiperidin-1-yl]carbonyl-2,3-dihydroinden-1-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C21H21NO2/c23-20-13-19(17-10-4-5-11-18(17)20)21(24)22-12-6-9-16(14-22)15-7-2-1-3-8-15/h1-5,7-8,10-11,16,19H,6,9,12-14H2/t16-,19-/m0/s1
InChIKeyInChI1.06SIVSQHBZCSYPQG-LPHOPBHVSA-N
SMILES_CANONICALCACTVS3.385O=C1C[C@H](C(=O)N2CCC[C@@H](C2)c3ccccc3)c4ccccc14
SMILESCACTVS3.385O=C1C[CH](C(=O)N2CCC[CH](C2)c3ccccc3)c4ccccc14
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)[C@H]2CCCN(C2)C(=O)[C@H]3CC(=O)c4c3cccc4
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)C2CCCN(C2)C(=O)C3CC(=O)c4c3cccc4

250835

PDB entries from 2026-03-18

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