Basic information
- CAS
63991-69-5- Standard SMILES
CN(Cc1ccccc1)C1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1- InChIKey
KTWONIDOBNOYMH-UHFFFAOYSA-N- Molecular formula
- C23H20ClN3O
- Average molar mass
- 389.9 g/mol
- Monoisotopic mass
- 389.12949
Names & identifiers
- Preferred name
- 3H-1,4-Benzodiazepin-2-amine, 7-chloro-N-methyl-5-phenyl-N-(phenylmethyl)-, 4-oxide
- IUPAC
- N-benzyl-7-chloro-N-methyl-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-amine
- English name
- 7-Chloro-N-methyl-5-phenyl-N-(phenylmethyl)-3H-1,4-benzodiazepin-2-amine4-oxide
- Molecular formula
- C23H20ClN3O
- Molecular weight
- 389.88
Names & synonyms
BRN 070944663991-69-53H-1,4-Benzodiazepin-2-amine, 7-chloro-N-methyl-5-phenyl-N-(phenylmethyl)-, 4-oxideDTXSID302139495-25-11-00433 (Beilstein Handbook Reference)RefChem:283039DTXCID10136440KTWONIDOBNOYMH-UHFFFAOYSA-N2-(N-Benzyl-methylamino)-5-phenyl-7-chlor-benz-1,4-diazepin-N-oxid2-(N-Benzyl-methylamino)-5-phenyl-7-chloro-1,4(3H)-benzodiazepine-4-oxideN-Benzyl-7-chloro-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-amine 4-oxide2-(Benzylmethylamino)-7-chloro-5-phenyl-3H-1,4-benzodiazepine-4-oxide
Show more names
7-Chloro-N-methyl-5-phenyl-N-(phenylmethyl)-3H-1,4-benzodiazepin-2-amine 4-oxide7-Chloro-N-methyl-5-phenyl-N-(phenylmethyl)-3H-1,4-benzodiazepin-2-amine4-oxideDB-307351N-Benzyl-7-chloro-N-methyl-4-oxo-5-phenyl-3H-1,4lambda~5~-benzodiazepin-2-amine
Database identifiers
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 44.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 593
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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