4-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]phenyl]benzenecarbonitrile Openeye Name: 4-[4-[2-(azepan-1-yl)-2-oxo-ethoxy]phenyl]benzonitrile CAS Name: 4-[4-[2-(1-azepanyl)-2-oxoethoxy]phenyl]benzonitrile IUPAC Name: 4-[4-[2-(azepan-1-yl)-2-oxoethoxy]phenyl]benzonitrile Traditional Name: 4-[4-[2-(azepan-1-yl)-2-keto-ethoxy]phenyl]benzonitrile Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCCN(CC1)C(=O)COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H22N2O2/c22-15-17-5-7-18(8-6-17)19-9-11-20(12-10-19)25-16-21(24)23-13-3-1-2-4-14-23/h5-12H,1-4,13-14,16H2