4-[1-[2-(4-methoxyphenyl)azepan-1-yl]-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile

Systemtic Name: 4-[1-[2-(4-methoxyphenyl)azepan-1-yl]-1-oxidanylidene-propan-2-yl]oxybenzenecarbonitrile Openeye Name: 4-[2-[2-(4-methoxyphenyl)azepan-1-yl]-1-methyl-2-oxo-ethoxy]benzonitrile CAS Name: 4-[1-[2-(4-methoxyphenyl)-1-azepanyl]-1-oxopropan-2-yl]oxybenzonitrile IUPAC Name: 4-[1-[2-(4-methoxyphenyl)azepan-1-yl]-1-oxopropan-2-yl]oxybenzonitrile Traditional Name: 4-[2-keto-2-[2-(4-methoxyphenyl)azepan-1-yl]-1-methyl-ethoxy]benzonitrile Formula: C23H26N2O3 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1C2=CC=C(C=C2)OC)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C(=O)N1CCCCCC1C2=CC=C(C=C2)OC)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H26N2O3/c1-17(28-21-11-7-18(16-24)8-12-21)23(26)25-15-5-3-4-6-22(25)19-9-13-20(27-2)14-10-19/h7-14,17,22H,3-6,15H2,1-2H3