 Home > Encyclopedia > 4-[[4-[(4-cyanophenyl)methyl]-1,3-dioxo-2-(pyridin-2-ylmethyl)isoquinolin-4-yl]methyl]benzonitrile

4-[[4-[(4-cyanophenyl)methyl]-1,3-dioxo-2-(pyridin-2-ylmethyl)isoquinolin-4-yl]methyl]benzonitrile

4-[[4-[(4-cyanophenyl)methyl]-1,3-dioxo-2-(pyridin-2-ylmethyl)isoquinolin-4-yl]methyl]benzonitrile structure

CAS No:
731776-36-6
Formula:
C31H22N4O2
Chemical Name:
4-[[4-[(4-cyanophenyl)methyl]-1,3-dioxo-2-(pyridin-2-ylmethyl)isoquinolin-4-yl]methyl]benzonitrile
Synonyms:
ZINC9562431;AKOS034447041;MCULE-9385815973;Z55722684;4-({4-[(4-cyanophenyl)methyl]-1,3-dioxo-2-[(pyridin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-4-yl}methyl)benzonitrile;731776-36-6

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4-[[4-[(4-cyanophenyl)methyl]-1,3-dioxo-2-(pyridin-2-ylmethyl)isoquinolin-4-yl]methyl]benzonitrile Basic Attributes

Molecular Weight：

482.5 g/mol

Exact Mass：

482.17427596 g/mol

Characteristics

PSA：

97.8 Å²

Computed Properties

Molecular Weight:482.5
XLogP3:4.5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:482.17427596
Monoisotopic Mass:482.17427596
Topological Polar Surface Area:97.8
Heavy Atom Count:37
Complexity:889
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[[4-[(4-cyanophenyl)methyl]-1,3-dioxo-2-(pyridin-2-ylmethyl)isoquinolin-4-yl]methyl]benzonitrile

Basic Attributes
Characteristics
Computed Properties

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