2-[2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]amino]-5-methyl-pyrimidin-4-yl]-2-pyridin-2-yl-ethanenitrile

Systemtic Name: 2-[2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]amino]-5-methyl-pyrimidin-4-yl]-2-pyridin-2-yl-ethanenitrile Openeye Name: 2-[2-[[1-[(4-methoxyphenyl)methyl]-4-piperidyl]amino]-5-methyl-pyrimidin-4-yl]-2-(2-pyridyl)acetonitrile CAS Name: 2-[2-[[1-[(4-methoxyphenyl)methyl]-4-piperidinyl]amino]-5-methyl-4-pyrimidinyl]-2-(2-pyridinyl)acetonitrile IUPAC Name: 2-[2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]amino]-5-methylpyrimidin-4-yl]-2-pyridin-2-ylacetonitrile Traditional Name: 2-[5-methyl-2-[(1-p-anisyl-4-piperidyl)amino]pyrimidin-4-yl]-2-(2-pyridyl)acetonitrile Formula: C25H28N6O MolecularWeight: 428.52942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C(C#N)C2=CC=CC=N2)NC3CCN(CC3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CN=C(N=C1C(C#N)C2=CC=CC=N2)NC3CCN(CC3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C25H28N6O/c1-18-16-28-25(30-24(18)22(15-26)23-5-3-4-12-27-23)29-20-10-13-31(14-11-20)17-19-6-8-21(32-2)9-7-19/h3-9,12,16,20,22H,10-11,13-14,17H2,1-2H3,(H,28,29,30)