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10174-83-1 | 1-Isoquinolinecarbonitrile, 2-benzoyl-1,2,3,4-tetrahydro-6,7-dimethoxy-
CAS No: 10174-83-1 Catalog No: AG0005DB MDL No:
Product Description
Catalog Number:
AG0005DB
Chemical Name:
1-Isoquinolinecarbonitrile, 2-benzoyl-1,2,3,4-tetrahydro-6,7-dimethoxy-
CAS Number:
10174-83-1
Molecular Formula:
C19H18N2O3
Molecular Weight:
322.3578
IUPAC Name:
2-benzoyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile
InChI:
InChI=1S/C19H18N2O3/c1-23-17-10-14-8-9-21(19(22)13-6-4-3-5-7-13)16(12-20)15(14)11-18(17)24-2/h3-7,10-11,16H,8-9H2,1-2H3
InChI Key:
ZSUZEIPCMWBNCP-UHFFFAOYSA-N
SMILES:
N#CC1c2cc(OC)c(cc2CCN1C(=O)c1ccccc1)OC
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.132g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.364g/mol
Monoisotopic Mass:
322.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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