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

Systemtic Name: 2-(2-chloranylpyrimidin-4-yl)-6-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(2-chloropyrimidin-4-yl)-6-methyl-1-[[4-[2-(1-piperidyl)ethoxy]phenyl]methyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-(2-chloro-4-pyrimidinyl)-6-methyl-1-[[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(2-chloropyrimidin-4-yl)-6-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(2-chloropyrimidin-4-yl)-6-methyl-1-[4-(2-piperidinoethoxy)benzyl]-3,4-dihydro-1H-isoquinoline Formula: C28H33ClN4O MolecularWeight: 477.04082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(N(CC2)C3=NC(=NC=C3)Cl)CC4=CC=C(C=C4)OCCN5CCCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)C(N(CC2)C3=NC(=NC=C3)Cl)CC4=CC=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C28H33ClN4O/c1-21-5-10-25-23(19-21)12-16-33(27-11-13-30-28(29)31-27)26(25)20-22-6-8-24(9-7-22)34-18-17-32-14-3-2-4-15-32/h5-11,13,19,26H,2-4,12,14-18,20H2,1H3