2-[[2-(2,6-diethylphenyl)-4-methyl-6-piperidin-1-yl-pyrimidin-5-yl]methyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[[2-(2,6-diethylphenyl)-4-methyl-6-piperidin-1-yl-pyrimidin-5-yl]methyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[[2-(2,6-diethylphenyl)-4-methyl-6-(1-piperidyl)pyrimidin-5-yl]methyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[[2-(2,6-diethylphenyl)-4-methyl-6-(1-piperidinyl)-5-pyrimidinyl]methyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[[2-(2,6-diethylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-5-yl]methyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[[2-(2,6-diethylphenyl)-4-methyl-6-piperidino-pyrimidin-5-yl]methyl]-3,4-dihydro-1H-isoquinoline Formula: C30H38N4 MolecularWeight: 454.64952

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)C2=NC(=C(C(=N2)N3CCCCC3)CN4CCC5=CC=CC=C5C4)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)C2=NC(=C(C(=N2)N3CCCCC3)CN4CCC5=CC=CC=C5C4)C

InChI

InChI=1S/C30H38N4/c1-4-23-14-11-15-24(5-2)28(23)29-31-22(3)27(30(32-29)34-17-9-6-10-18-34)21-33-19-16-25-12-7-8-13-26(25)20-33/h7-8,11-15H,4-6,9-10,16-21H2,1-3H3