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(3E)-4-(1-azepanyl)-3-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-ethyl-2,4-dioxobutanamide
SpectraBase Compound ID dJQOrTOyRJ
InChI InChI=1S/C23H31N3O3/c1-4-24-21(28)20(27)18(22(29)26-13-9-5-6-10-14-26)19-17-12-8-7-11-16(17)15-23(2,3)25-19/h7-8,11-12,25H,4-6,9-10,13-15H2,1-3H3,(H,24,28)/b19-18+
InChIKey IPCJXRRTLGRZHT-VHEBQXMUSA-N
Mol Weight 397.52 g/mol
Molecular Formula C23H31N3O3
Exact Mass 397.236542 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ly9H7QVPC7
Name (3E)-4-(1-azepanyl)-3-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-ethyl-2,4-dioxobutanamide
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H31N3O3
InChI InChI=1S/C23H31N3O3/c1-4-24-21(28)20(27)18(22(29)26-13-9-5-6-10-14-26)19-17-12-8-7-11-16(17)15-23(2,3)25-19/h7-8,11-12,25H,4-6,9-10,13-15H2,1-3H3,(H,24,28)/b19-18+
InChIKey IPCJXRRTLGRZHT-VHEBQXMUSA-N
Molecular Weight 397.519 g/mol
SMILES N1C(Cc2c(\C1=C/(C(C(NCC)=O)=O)C(=O)N1CCCCCC1)cccc2)(C)C
SPLASH splash10-004i-9653000000-5c7ddbf237c6abfbee8d
Source of Spectrum AD-0-2532-0
Synonyms (3E)-4-(azepan-1-yl)-3-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-ethyl-2,4-bis(oxidanylidene)butanamide (3E)-4-(azepan-1-yl)-3-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-ethyl-2,4-diketo-butyramide (3E)-4-(azepan-1-yl)-3-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-ethyl-2,4-dioxo-butanamide Butyramide, 4-(azepan-1-yl)-3-(3,3-dimethyl-3,4-dihydro-2H-isoquinolin-1-ylidene)-N-ethyl-2,4-dioxo-
Wiley ID 1436092