4-[4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethoxy]phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethoxy]phenyl]benzenecarbonitrile Openeye Name: 4-[4-[2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethoxy]phenyl]benzonitrile CAS Name: 4-[4-[2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethoxy]phenyl]benzonitrile IUPAC Name: 4-[4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethoxy]phenyl]benzonitrile Traditional Name: 4-[4-[2-keto-2-[(3S)-3-methylpiperidino]ethoxy]phenyl]benzonitrile Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)COC2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H22N2O2/c1-16-3-2-12-23(14-16)21(24)15-25-20-10-8-19(9-11-20)18-6-4-17(13-22)5-7-18/h4-11,16H,2-3,12,14-15H2,1H3/t16-/m0/s1