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BEP

Summary
Name:1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE
Synonyms:BEPRIDIL
Formula:C24 H34 N2 O
Formal charge:0
Formula weight:366.54 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-benzyl-N-[(2S)-3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]aniline
OpenEye OEToolkits1.5.0N-[(2S)-3-(2-methylpropoxy)-2-pyrrolidin-1-yl-propyl]-N-(phenylmethyl)aniline

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O(CC(C)C)CC(N1CCCC1)CN(c2ccccc2)Cc3ccccc3
SMILES_CANONICALCACTVS3.341CC(C)COC[C@H](CN(Cc1ccccc1)c2ccccc2)N3CCCC3
SMILESCACTVS3.341CC(C)COC[CH](CN(Cc1ccccc1)c2ccccc2)N3CCCC3
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(C)COC[C@H](C[N@@](Cc1ccccc1)c2ccccc2)N3CCCC3
SMILESOpenEye OEToolkits1.5.0CC(C)COCC(CN(Cc1ccccc1)c2ccccc2)N3CCCC3
InChIInChI1.03InChI=1S/C24H34N2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3/t24-/m0/s1
InChIKeyInChI1.03UIEATEWHFDRYRU-DEOSSOPVSA-N

222415

PDB entries from 2024-07-10

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