2-(azepan-1-yl)-1-(4-phenoxyphenyl)propan-1-one

Systemtic Name: 2-(azepan-1-yl)-1-(4-phenoxyphenyl)propan-1-one Openeye Name: 2-(azepan-1-yl)-1-(4-phenoxyphenyl)propan-1-one CAS Name: 2-(1-azepanyl)-1-(4-phenoxyphenyl)-1-propanone IUPAC Name: 2-(azepan-1-yl)-1-(4-phenoxyphenyl)propan-1-one Traditional Name: 2-(azepan-1-yl)-1-(4-phenoxyphenyl)propan-1-one Formula: C21H25NO2 MolecularWeight: 323.4287

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)OC2=CC=CC=C2)N3CCCCCC3

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)OC2=CC=CC=C2)N3CCCCCC3

InChI

InChI=1S/C21H25NO2/c1-17(22-15-7-2-3-8-16-22)21(23)18-11-13-20(14-12-18)24-19-9-5-4-6-10-19/h4-6,9-14,17H,2-3,7-8,15-16H2,1H3