2-[1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-3-piperidyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[1-[[2-(4-methoxyphenyl)-5-pyrimidinyl]methyl]-3-piperidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-3-piperidyl]-3,4-dihydro-1H-isoquinoline Formula: C26H30N4O MolecularWeight: 414.5426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC=C(C=N2)CN3CCCC(C3)N4CCC5=CC=CC=C5C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC=C(C=N2)CN3CCCC(C3)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C26H30N4O/c1-31-25-10-8-22(9-11-25)26-27-15-20(16-28-26)17-29-13-4-7-24(19-29)30-14-12-21-5-2-3-6-23(21)18-30/h2-3,5-6,8-11,15-16,24H,4,7,12-14,17-19H2,1H3