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Home > Pyridines > 191546-96-0
191546-96-0 | Pyrazino[2,1-a]pyrido[2,3-c][2]benzazepin-1(2H)-one, 3,4,10,14b-tetrahydro-2-methyl-
CAS No: 191546-96-0 Catalog No: AG002FBF MDL No:
Product Description
Catalog Number:
AG002FBF
Chemical Name:
Pyrazino[2,1-a]pyrido[2,3-c][2]benzazepin-1(2H)-one, 3,4,10,14b-tetrahydro-2-methyl-
CAS Number:
191546-96-0
Molecular Formula:
C17H17N3O
Molecular Weight:
279.3364
IUPAC Name:
5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-6-one
InChI:
InChI=1S/C17H17N3O/c1-19-9-10-20-15(17(19)21)14-7-3-2-5-12(14)11-13-6-4-8-18-16(13)20/h2-8,15H,9-11H2,1H3
InChI Key:
NWXITVQAKIFZLZ-UHFFFAOYSA-N
SMILES:
O=C1N(C)CCN2C1c1ccccc1Cc1c2nccc1
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.137g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.343g/mol
Monoisotopic Mass:
279.137g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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