6H-Pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid, 9-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)octahydro-10-oxo-, 1,1-dimethylethyl ester, (1S-trans)-

CAS Registry Number®

106928-01-2
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CAS Name

6H-Pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid, 9-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)octahydro-10-oxo-, 1,1-dimethylethyl ester, (1S-trans)-

Molecular Formula

C22H27N3O5

Molecular Mass

413.47

Cite this Page

6H-Pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid, 9-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)octahydro-10-oxo-, 1,1-dimethylethyl ester, (1S-trans)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=106928-01-2 (retrieved 2024-07-02) (CAS RN: 106928-01-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H27N3O5/c1-22(2,3)30-21(29)17-11-7-13-23-12-6-10-16(20(28)25(17)23)24-18(26)14-8-4-5-9-15(14)19(24)27/h4-5,8-9,16-17H,6-7,10-13H2,1-3H3/t16-,17+/m1/s1

InChIKey

InChIKey=FARFFIGGGRCEFT-SJORKVTESA-N

SMILES

O=C1N(C(=O)C=2C1=CC=CC2)[C@H]3C(=O)N4[C@H](C(OC(C)(C)C)=O)CCCN4CCC3

Canonical SMILES

O=C(OC(C)(C)C)C1N2C(=O)C(N3C(=O)C=4C=CC=CC4C3=O)CCCN2CCC1

Other Names for this Substance

  • 6H-Pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid, 9-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)octahydro-10-oxo-, 1,1-dimethylethyl ester, (1S-trans)-