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Oprea1_473599,Oprea1_858413,BAS 02812508,4-(3,4-Dihydro-1H-isoquinolin

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摘 要:Oprea1_473599,Oprea1_858413,BAS 02812508,4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-N-pyridin-4-ylmethyl-benzamide, 4-(3,,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide,Canonical SMILES: C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NCC4
[Synonyms]
Oprea1_473599
Oprea1_858413
BAS 02812508
4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-N-pyridin-4-ylmethyl-benzamide

[Structure]
Oprea1_473599,Oprea1_858413,BAS 02812508,4-(3,4-Dihydro-1H-isoquinolin

[ Properties Computed from Structure]
Molecular Weight357.44822 [g/mol]
Molecular FormulaC23H23N3O
XLogP3.2
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count5
Tautomer Count2
Exact Mass357.184112
MonoIsotopic Mass357.184112
Topological Polar Surface Area45.2
Heavy Atom Count27
Formal Charge0
Complexity468
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 4-(3,
4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
Canonical SMILES: C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NCC4=CC=NC=C4
InChI: InChI=1/C23H23N3O/c27-23(25-15-18-9-12-24-13-10-18)21-7-5-19(6-8-21)16-
26-14-11-20-3-1-2-4-22(20)17-26/h1-10,12-13H,11,14-17H2,(H,25,27)/f/h25H

 
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