3-(azepan-1-yl)-2-[(3-chloro-4-methoxyphenyl)methyl]-3-oxopropanenitrile

Compound number
MolPort-023-089-626
IUPAC
3-(azepan-1-yl)-2-[(3-chloro-4-methoxyphenyl)methyl]-3-oxopropanenitrile
IUPAC traditional
3-(azepan-1-yl)-2-[(3-chloro-4-methoxyphenyl)methyl]-3-oxopropanenitrile
SMILES
COc1ccc(CC(C#N)C(=O)N2CCCCCC2)cc1Cl
InChI key
UJZAKKIGSVNFPO-UHFFFAOYSA-N
Molecular formula
Molecular weight
320.82
Solubility
not available

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More Information

Compound identifiers

Compound number
MolPort-023-089-626

Names, Synonyms and 3rd Party Identifiers

InChI

InChI
1/C17H21ClN2O2/c1-22-16-7-6-13(11-15(16)18)10-14(12-19)17(21)20-8-4-2-3-5-9-20/h6-7,11,14H,2-5,8-10H2,1H3
InChI key
UJZAKKIGSVNFPO-UHFFFAOYSA-N

Formula

Molecular formula
C17H21ClN2O2
Molecular weight
320.82

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