(3RS)-2,3-dihydro-1-(isoquinolin-1-yl)methyl-5-phenyl-3-phthalimido-1H-1,4-benzodiazepin-2-one

HCID 19081216
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Basic information

Standard SMILES
O=C1C(N2C(=O)c3ccccc3C2=O)N=C(c2ccccc2)c2ccccc2N1Cc1nccc2ccccc12
InChIKey
VGJBAOWSTHRNNX-UHFFFAOYSA-N
Molecular formula
C33H22N4O3
Average molar mass
522.6 g/mol

Names & identifiers

Preferred name
(3RS)-2,3-dihydro-1-(isoquinolin-1-yl)methyl-5-phenyl-3-phthalimido-1H-1,4-benzodiazepin-2-one
IUPAC
2-[1-(isoquinolin-1-ylmethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]isoindole-1,3-dione

Names & synonyms

SCHEMBL8533894VGJBAOWSTHRNNX-UHFFFAOYSA-N(3RS)-2,3-dihydro-1-(isoquinolin-1-yl)methyl-5-phenyl-3-phthalimido-1H-1,4-benzodiazepin-2-one

Database identifiers

PubChem CID
19081216

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
82.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
40

Related reactions

2 records
New reaction record

Compound notes

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