3-[4-[4-[6-(dimethylamino)pyridin-3-yl]phenoxy]piperidin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-[4-[6-(dimethylamino)pyridin-3-yl]phenoxy]piperidin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-[4-[6-(dimethylamino)-3-pyridyl]phenoxy]piperidine-1-carbonyl]benzonitrile CAS Name: 3-[[4-[4-[6-(dimethylamino)-3-pyridinyl]phenoxy]-1-piperidinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-[4-[6-(dimethylamino)pyridin-3-yl]phenoxy]piperidine-1-carbonyl]benzonitrile Traditional Name: 3-[4-[4-[6-(dimethylamino)-3-pyridyl]phenoxy]piperidine-1-carbonyl]benzonitrile Formula: C26H26N4O2 MolecularWeight: 426.51024

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=C(C=C1)C2=CC=C(C=C2)OC3CCN(CC3)C(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

CN(C)C1=NC=C(C=C1)C2=CC=C(C=C2)OC3CCN(CC3)C(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C26H26N4O2/c1-29(2)25-11-8-22(18-28-25)20-6-9-23(10-7-20)32-24-12-14-30(15-13-24)26(31)21-5-3-4-19(16-21)17-27/h3-11,16,18,24H,12-15H2,1-2H3