3-(azepan-1-yl)-1-(3-ethyl-4-propoxy-phenyl)propan-1-one

Systemtic Name: 3-(azepan-1-yl)-1-(3-ethyl-4-propoxy-phenyl)propan-1-one Openeye Name: 3-(azepan-1-yl)-1-(3-ethyl-4-propoxy-phenyl)propan-1-one CAS Name: 3-(1-azepanyl)-1-(3-ethyl-4-propoxyphenyl)-1-propanone IUPAC Name: 3-(azepan-1-yl)-1-(3-ethyl-4-propoxyphenyl)propan-1-one Traditional Name: 3-(azepan-1-yl)-1-(3-ethyl-4-propoxy-phenyl)propan-1-one Formula: C20H31NO2 MolecularWeight: 317.46564

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)CCN2CCCCCC2)CC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)CCN2CCCCCC2)CC

InChI

InChI=1S/C20H31NO2/c1-3-15-23-20-10-9-18(16-17(20)4-2)19(22)11-14-21-12-7-5-6-8-13-21/h9-10,16H,3-8,11-15H2,1-2H3