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3-[3-(bis-cyclopropylmethylaminomethyl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

HCID 70075596
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CN1Cc2c(-c3nc(CN(CC4CC4)CC4CC4)no3)ncn2-c2ccccc2C1=O
InChIKey
FAFRNJOBJCXPLH-UHFFFAOYSA-N
Molecular formula
C23H26N6O2
Average molar mass
418.5 g/mol

Names & identifiers

Preferred name
3-[3-(bis-cyclopropylmethylaminomethyl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
IUPAC
3-[3-[[bis(cyclopropylmethyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

Names & synonyms

SCHEMBL7390004FAFRNJOBJCXPLH-UHFFFAOYSA-N3-[3-(bis-cyclopropylmethylaminomethyl)-1,2,4-oxadiazol-5-yl ]-5,6-dihydro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

Database identifiers

PubChem CID
70075596

Properties

Computed structural properties

XLogP
2
Topological polar surface area
80.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
31
Formal charge
0
Complexity
656

Related reactions

1 records
New reaction record
HRID 1378066 reaction equation
HRID 1378066As productuspto-grants-1997_09

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes