(7bR,11aS)-N-(4-methoxy-3-methylbenzyl)-1,2,7b,8,9,10,11,11a-octahydro-4H-[1,4]oxazepino[6,5,4-hi]pyrido[4,3-b]indol-6-amine

HCID 60071845
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Basic information

Standard SMILES
COc1ccc(CNc2cc3c4c(c2)[C@@H]2CNCC[C@@H]2N4CCOC3)cc1C
InChIKey
XVEXVCRSMFOVTL-SFTDATJTSA-N
Molecular formula
C23H29N3O2
Average molar mass
379.5 g/mol

Names & identifiers

Preferred name
(7bR,11aS)-N-(4-methoxy-3-methylbenzyl)-1,2,7b,8,9,10,11,11a-octahydro-4H-[1,4]oxazepino[6,5,4-hi]pyrido[4,3-b]indol-6-amine
IUPAC
(11S,16R)-N-[(4-methoxy-3-methylphenyl)methyl]-7-oxa-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1,3,5(17)-trien-3-amine

Names & synonyms

SCHEMBL6505139XVEXVCRSMFOVTL-SFTDATJTSA-N(7bR,11aS)-N-(4-methoxy-3-methylbenzyl)-1,2,7b,8,9,10,11,11a-octahydro-4H-[1,4]oxazepino[6,5,4-hi]pyrido[4,3-b]indol-6-amine

Database identifiers

PubChem CID
60071845

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
45.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
28

Related reactions

2 records
New reaction record

Compound notes

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