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2,3,4,5-Tetrahydro-N-[3-(4-(2-pyrimidyl)piperazin-1-yl)propyl]-benzo[c]azepin-1-one
SpectraBase Compound ID 4ADfWFfIwKl
InChI InChI=1S/C21H27N5O/c27-20-19-8-2-1-6-18(19)7-3-12-25(20)13-5-11-24-14-16-26(17-15-24)21-22-9-4-10-23-21/h1-2,4,6,8-10H,3,5,7,11-17H2
InChIKey LCBAQBQSRJBWCB-UHFFFAOYSA-N
Mol Weight 365.48 g/mol
Molecular Formula C21H27N5O
Exact Mass 365.221561 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GjmBdr3AbrF
Name 2,3,4,5-Tetrahydro-N-[3-(4-(2-pyrimidyl)piperazin-1-yl)propyl]-benzo[c]azepin-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27N5O
InChI InChI=1S/C21H27N5O/c27-20-19-8-2-1-6-18(19)7-3-12-25(20)13-5-11-24-14-16-26(17-15-24)21-22-9-4-10-23-21/h1-2,4,6,8-10H,3,5,7,11-17H2
InChIKey LCBAQBQSRJBWCB-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cmdc.201000101
Molecular Weight 365.481 g/mol
SMILES C1(N(CCCc2c1cccc2)CCCN1CCN(CC1)c1ncccn1)=O
SPLASH splash10-0pb9-9170000000-4eb4af5de081edc91f4b
Source of Spectrum CMC-5-1312-6d
Synonyms 2-(3-(4-(pyrimidin-2-yl)piperazin-1-yl)propyl)-2,3,4,5-tetrahydro-1H-benzo[c]azepin-1-one 2-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-4,5-dihydro-3H-2-benzazepin-1-one 2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,5-dihydro-3H-2-benzazepin-1-one
Wiley ID 1771724