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2,3-Dicyano-5-(4-cyanophenyl)-7-[2-(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)ethenyl]-6H-1,4-diazepine
SpectraBase Compound ID mDwGMj5Q4T
InChI InChI=1S/C28H22N6/c29-16-19-5-8-21(9-6-19)25-15-24(32-26(17-30)27(18-31)33-25)10-7-20-13-22-3-1-11-34-12-2-4-23(14-20)28(22)34/h5-10,13-14H,1-4,11-12,15H2/b10-7+
InChIKey MQCFZRDSKVBPEP-JXMROGBWSA-N
Mol Weight 442.53 g/mol
Molecular Formula C28H22N6
Exact Mass 442.190595 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8VgWKBq4upL
Name 2,3-Dicyano-5-(4-cyanophenyl)-7-[2-(2,3,6,7-tetrahydro-1H,5H-benzo[ij]quinolizin-9-yl)ethenyl]-6H-1,4-diazepine
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Formula C28H22N6
InChI InChI=1S/C28H22N6/c29-16-19-5-8-21(9-6-19)25-15-24(32-26(17-30)27(18-31)33-25)10-7-20-13-22-3-1-11-34-12-2-4-23(14-20)28(22)34/h5-10,13-14H,1-4,11-12,15H2/b10-7+
InChIKey MQCFZRDSKVBPEP-JXMROGBWSA-N
Molecular Weight 442.526 g/mol
SMILES C=1(N=C(CC(=NC1C#N)c1ccc(cc1)C#N)\C=C\c1cc2CCCN3CCCc(c23)c1)C#N
SPLASH splash10-000f-0750900000-cfca3628662b84f41eb8
Source of Spectrum HC-78-321-18
Synonyms 5-(4-cyanophenyl)-7-[(E)-2-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)ethenyl]-6H-1,4-diazepine-2,3-dicarbonitrile
Wiley ID 1612692