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(2R*,3S*,5R*)-N-Phenyl-2-cyano-1,3,5-trimethyl-1H-1-benzazepine-3-carboxamide
SpectraBase Compound ID LPd6dS4fq5g
InChI InChI=1S/C21H23N3O/c1-15-13-21(2,20(25)23-16-9-5-4-6-10-16)19(14-22)24(3)18-12-8-7-11-17(15)18/h4-12,15,19H,13H2,1-3H3,(H,23,25)/t15-,19+,21+/m1/s1
InChIKey PTHCBBFQCBVDBL-JJXUHFIVSA-N
Mol Weight 333.44 g/mol
Molecular Formula C21H23N3O
Exact Mass 333.184112 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID e0EZnghhI0
Name (2R*,3S*,5R*)-N-Phenyl-2-cyano-1,3,5-trimethyl-1H-1-benzazepine-3-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23N3O
InChI InChI=1S/C21H23N3O/c1-15-13-21(2,20(25)23-16-9-5-4-6-10-16)19(14-22)24(3)18-12-8-7-11-17(15)18/h4-12,15,19H,13H2,1-3H3,(H,23,25)/t15-,19+,21+/m1/s1
InChIKey PTHCBBFQCBVDBL-JJXUHFIVSA-N
Molecular Weight 333.435 g/mol
SMILES N(C([C@@]1([C@@](N(c2ccccc2[C@@](C1)(C)[H])C)(C#N)[H])C)=O)c1ccccc1
SPLASH splash10-05a2-0901000000-bad2629ed6ed245a0bab
Source of Spectrum F-49-896-20
Synonyms (2R,3S,5R)-2-Cyano-1,3,5-trimethyl-2,3,4,5-tetrahydro-1H-benzo[b]azepine-3-carboxylic acid phenylamide
Wiley ID 1330402