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125273-88-3 | Cyclohexanecarboxamide, N-[2-(3,4-dihydro-1-oxo-2(1H)-isoquinolinyl)-2-oxoethyl]-N-formyl-
CAS No: 125273-88-3 Catalog No: AG000NFS MDL No:
Product Description
Catalog Number:
AG000NFS
Chemical Name:
Cyclohexanecarboxamide, N-[2-(3,4-dihydro-1-oxo-2(1H)-isoquinolinyl)-2-oxoethyl]-N-formyl-
CAS Number:
125273-88-3
Molecular Formula:
C19H22N2O4
Molecular Weight:
342.3890
IUPAC Name:
N-formyl-N-[2-oxo-2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethyl]cyclohexanecarboxamide
InChI:
InChI=1S/C19H22N2O4/c22-13-20(18(24)15-7-2-1-3-8-15)12-17(23)21-11-10-14-6-4-5-9-16(14)19(21)25/h4-6,9,13,15H,1-3,7-8,10-12H2
InChI Key:
RPNVVNYKJLHAFP-UHFFFAOYSA-N
SMILES:
O=CN(C(=O)C1CCCCC1)CC(=O)N1CCc2c(C1=O)cccc2
UNII:
HRW0WH0AQH
Properties
Complexity:
542
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.158g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.395g/mol
Monoisotopic Mass:
342.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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