2-[4-[4-methoxy-3-[1-(oxan-4-yl)piperidin-4-yl]phenyl]phenyl]-2-methyl-propanenitrile

Systemtic Name: 2-[4-[4-methoxy-3-[1-(oxan-4-yl)piperidin-4-yl]phenyl]phenyl]-2-methyl-propanenitrile Openeye Name: 2-[4-[4-methoxy-3-(1-tetrahydropyran-4-yl-4-piperidyl)phenyl]phenyl]-2-methyl-propanenitrile CAS Name: 2-[4-[4-methoxy-3-[1-(4-oxanyl)-4-piperidinyl]phenyl]phenyl]-2-methylpropanenitrile IUPAC Name: 2-[4-[4-methoxy-3-[1-(oxan-4-yl)piperidin-4-yl]phenyl]phenyl]-2-methylpropanenitrile Traditional Name: 2-[4-[4-methoxy-3-(1-tetrahydropyran-4-yl-4-piperidyl)phenyl]phenyl]-2-methyl-propionitrile Formula: C27H34N2O2 MolecularWeight: 418.57106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=CC=C(C=C1)C2=CC(=C(C=C2)OC)C3CCN(CC3)C4CCOCC4

Isomeric SMILES

CC(C)(C#N)C1=CC=C(C=C1)C2=CC(=C(C=C2)OC)C3CCN(CC3)C4CCOCC4

InChI

InChI=1S/C27H34N2O2/c1-27(2,19-28)23-7-4-20(5-8-23)22-6-9-26(30-3)25(18-22)21-10-14-29(15-11-21)24-12-16-31-17-13-24/h4-9,18,21,24H,10-17H2,1-3H3