2-[4-[1-(azepan-3-yl)propoxy]phenyl]oxane-4-carbonitrile

Systemtic Name: 2-[4-[1-(azepan-3-yl)propoxy]phenyl]oxane-4-carbonitrile Openeye Name: 2-[4-[1-(azepan-3-yl)propoxy]phenyl]tetrahydropyran-4-carbonitrile CAS Name: 2-[4-[1-(3-azepanyl)propoxy]phenyl]-4-oxanecarbonitrile IUPAC Name: 2-[4-[1-(azepan-3-yl)propoxy]phenyl]oxane-4-carbonitrile Traditional Name: 2-[4-[1-(azepan-3-yl)propoxy]phenyl]tetrahydropyran-4-carbonitrile Formula: C21H30N2O2 MolecularWeight: 342.4751

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCCCNC1)OC2=CC=C(C=C2)C3CC(CCO3)C#N

Isomeric SMILES

CCC(C1CCCCNC1)OC2=CC=C(C=C2)C3CC(CCO3)C#N

InChI

InChI=1S/C21H30N2O2/c1-2-20(18-5-3-4-11-23-15-18)25-19-8-6-17(7-9-19)21-13-16(14-22)10-12-24-21/h6-9,16,18,20-21,23H,2-5,10-13,15H2,1H3