3-[3-(3-ethyl-1-methyl-2-oxidanylidene-azepan-3-yl)phenoxy]benzaldehyde

Systemtic Name: 3-[3-(3-ethyl-1-methyl-2-oxidanylidene-azepan-3-yl)phenoxy]benzaldehyde Openeye Name: 3-[3-(3-ethyl-1-methyl-2-oxo-azepan-3-yl)phenoxy]benzaldehyde CAS Name: 3-[3-(3-ethyl-1-methyl-2-oxo-3-azepanyl)phenoxy]benzaldehyde IUPAC Name: 3-[3-(3-ethyl-1-methyl-2-oxoazepan-3-yl)phenoxy]benzaldehyde Traditional Name: 3-[3-(3-ethyl-2-keto-1-methyl-azepan-3-yl)phenoxy]benzaldehyde Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCCN(C1=O)C)C2=CC(=CC=C2)OC3=CC=CC(=C3)C=O

Isomeric SMILES

CCC1(CCCCN(C1=O)C)C2=CC(=CC=C2)OC3=CC=CC(=C3)C=O

InChI

InChI=1S/C22H25NO3/c1-3-22(12-4-5-13-23(2)21(22)25)18-9-7-11-20(15-18)26-19-10-6-8-17(14-19)16-24/h6-11,14-16H,3-5,12-13H2,1-2H3