3-(((1R,5S)-9-(Benzo[b]thiophen-2-yl)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)benzonitrile

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Analyte Name

3-(((1R,5S)-9-(Benzo[b]thiophen-2-yl)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)methyl)benzonitrile

CAS Number

1212723-88-0

Molecular Formula

C27 H23 N3 O S

Molecular Weight

437.556

Accurate Mass

437.156

SMILES

O=C1N2C[C@H]3C[C@H](CN(Cc4cccc(c4)C#N)C3)C2=CC=C1c5cc6ccccc6s5

InChI

InChI=1S/C27H23N3OS/c28-13-18-4-3-5-19(10-18)14-29-15-20-11-22(17-29)24-9-8-23(27(31)30(24)16-20)26-12-21-6-1-2-7-25(21)32-26/h1-10,12,20,22H,11,14-17H2/t20-,22+/m0/s1

IUPAC

3-[[(1R,9S)-5-(1-benzothiophen-2-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl]benzonitrile

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat