5-[4-(4-(4-Phenoxyphenyl)-1,2,3,6-tetrahydropyridine-1-yl)butyrylamino]-2,3,4,5-tetrahydro-1-benzoxepine

HCID 19694259
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Basic information

Standard SMILES
O=C(CCCN1CC=C(c2ccc(Oc3ccccc3)cc2)CC1)NC1CCCOc2ccccc21
InChIKey
OJUSEWVAHMEPQG-UHFFFAOYSA-N
Molecular formula
C31H34N2O3
Average molar mass
482.6 g/mol

Names & identifiers

Preferred name
5-[4-(4-(4-Phenoxyphenyl)-1,2,3,6-tetrahydropyridine-1-yl)butyrylamino]-2,3,4,5-tetrahydro-1-benzoxepine
IUPAC
4-[4-(4-phenoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)butanamide

Names & synonyms

SCHEMBL7465847OJUSEWVAHMEPQG-UHFFFAOYSA-N5-[4-(4-(4-phenoxyphenyl)-1,2,3,6-tetrahydropyridine-1-yl)butyrylamino]-2,3,4,5-tetrahydro-1-benzoxepine

Database identifiers

PubChem CID
19694259

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
50.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
36

Related reactions

1 records
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Linked notes

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