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

Systemtic Name: 2-[1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[1-[(4-pyrimidin-2-yloxyphenyl)methyl]-3-piperidyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[1-[[4-(2-pyrimidinyloxy)phenyl]methyl]-3-piperidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[1-[4-(2-pyrimidyloxy)benzyl]-3-piperidyl]-3,4-dihydro-1H-isoquinoline Formula: C25H28N4O MolecularWeight: 400.51602

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=C(C=C2)OC3=NC=CC=N3)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CC(CN(C1)CC2=CC=C(C=C2)OC3=NC=CC=N3)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C25H28N4O/c1-2-6-22-18-29(16-12-21(22)5-1)23-7-3-15-28(19-23)17-20-8-10-24(11-9-20)30-25-26-13-4-14-27-25/h1-2,4-6,8-11,13-14,23H,3,7,12,15-19H2