CHEBI:107652 - 4-[(S)-[(2S,5R)-2,5-dimethyl-4-prop-2-enyl-1-piperazinyl]-phenylmethyl]-N,N-diethylbenzamide

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ChEBI Name 4-[(S)-[(2S,5R)-2,5-dimethyl-4-prop-2-enyl-1-piperazinyl]-phenylmethyl]-N,N-diethylbenzamide
ChEBI ID CHEBI:107652
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H37N3O
Net Charge 0
Average Mass 419.603
Monoisotopic Mass 419.29366
InChI InChI=1S/C27H37N3O/c1-6-18-29-19-22(5)30(20-21(29)4)26(23-12-10-9-11-13-23)24-14-16-25(17-15-24)27(31)28(7-2)8-3/h6,9-17,21-22,26H,1,7-8,18-20H2,2-5H3/t21-,22+,26+/m1/s1
InChIKey WGIDFDFAOQVAHY-UFPGJGBJSA-N
SMILES CCN(CC)C(=O)C1=CC=C(C=C1)[C@H](C2=CC=CC=C2)N3C[C@H](N(C[C@@H]3C)CC=C)C
ChEBI Ontology
Outgoing 4-[(S)-[(2S,5R)-2,5-dimethyl-4-prop-2-enyl-1-piperazinyl]-phenylmethyl]-N,N-diethylbenzamide (CHEBI:107652) is a diarylmethane (CHEBI:51614)
Manual Xref Database
LSM-19028 LINCS
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