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132836-34-1 | Ethanone, 2-(diethylamino)-1-[3,4-dihydro-6,7-dimethoxy-1-[1-(6-methoxy-2-naphthalenyl)ethyl]-2(1H)-isoquinolinyl]-
CAS No: 132836-34-1 Catalog No: AG001186 MDL No:
Product Description
Catalog Number:
AG001186
Chemical Name:
Ethanone, 2-(diethylamino)-1-[3,4-dihydro-6,7-dimethoxy-1-[1-(6-methoxy-2-naphthalenyl)ethyl]-2(1H)-isoquinolinyl]-
CAS Number:
132836-34-1
Molecular Formula:
C30H38N2O4
Molecular Weight:
490.6337
IUPAC Name:
2-(diethylamino)-1-[6,7-dimethoxy-1-[1-(6-methoxynaphthalen-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
InChI:
InChI=1S/C30H38N2O4/c1-7-31(8-2)19-29(33)32-14-13-24-17-27(35-5)28(36-6)18-26(24)30(32)20(3)21-9-10-23-16-25(34-4)12-11-22(23)15-21/h9-12,15-18,20,30H,7-8,13-14,19H2,1-6H3
InChI Key:
AHVPOAOWHRMOBY-UHFFFAOYSA-N
SMILES:
CCN(CC(=O)N1CCc2c(C1C(c1ccc3c(c1)ccc(c3)OC)C)cc(c(c2)OC)OC)CC
Properties
Complexity:
700
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
490.283g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
490.644g/mol
Monoisotopic Mass:
490.283g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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