2-(2-chloranylpyrimidin-4-yl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-ol

Systemtic Name: 2-(2-chloranylpyrimidin-4-yl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-ol Openeye Name: 2-(2-chloropyrimidin-4-yl)-1-[[4-[2-(1-piperidyl)ethoxy]phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-ol CAS Name: 2-(2-chloro-4-pyrimidinyl)-1-[[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-ol IUPAC Name: 2-(2-chloropyrimidin-4-yl)-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-ol Traditional Name: 2-(2-chloropyrimidin-4-yl)-1-[4-(2-piperidinoethoxy)benzyl]-3,4-dihydro-1H-isoquinolin-6-ol Formula: C27H31ClN4O2 MolecularWeight: 479.01364

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC2=CC=C(C=C2)CC3C4=C(CCN3C5=NC(=NC=C5)Cl)C=C(C=C4)O

Isomeric SMILES

C1CCN(CC1)CCOC2=CC=C(C=C2)CC3C4=C(CCN3C5=NC(=NC=C5)Cl)C=C(C=C4)O

InChI

InChI=1S/C27H31ClN4O2/c28-27-29-12-10-26(30-27)32-15-11-21-19-22(33)6-9-24(21)25(32)18-20-4-7-23(8-5-20)34-17-16-31-13-2-1-3-14-31/h4-10,12,19,25,33H,1-3,11,13-18H2