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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCN1)OC2=CC=C(C=C2)CC3C4=C(CCN3C5=NC(=NC=C5)Cl)C=C(C=C4)O

Isomeric SMILES

CC(C1CCCCN1)OC2=CC=C(C=C2)CC3C4=C(CCN3C5=NC(=NC=C5)Cl)C=C(C=C4)O

InChI

InChI=1S/C27H31ClN4O2/c1-18(24-4-2-3-13-29-24)34-22-8-5-19(6-9-22)16-25-23-10-7-21(33)17-20(23)12-15-32(25)26-11-14-30-27(28)31-26/h5-11,14,17-18,24-25,29,33H,2-4,12-13,15-16H2,1H3