1-[[2-(2,6-diethylphenyl)-4-methyl-6-piperidin-1-yl-pyrimidin-5-yl]methyl]azepane

Systemtic Name: 1-[[2-(2,6-diethylphenyl)-4-methyl-6-piperidin-1-yl-pyrimidin-5-yl]methyl]azepane Openeye Name: 1-[[2-(2,6-diethylphenyl)-4-methyl-6-(1-piperidyl)pyrimidin-5-yl]methyl]azepane CAS Name: 1-[[2-(2,6-diethylphenyl)-4-methyl-6-(1-piperidinyl)-5-pyrimidinyl]methyl]azepane IUPAC Name: 1-[[2-(2,6-diethylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-5-yl]methyl]azepane Traditional Name: 1-[[2-(2,6-diethylphenyl)-4-methyl-6-piperidino-pyrimidin-5-yl]methyl]azepane Formula: C27H40N4 MolecularWeight: 420.6333

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)C2=NC(=C(C(=N2)N3CCCCC3)CN4CCCCCC4)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)C2=NC(=C(C(=N2)N3CCCCC3)CN4CCCCCC4)C

InChI

InChI=1S/C27H40N4/c1-4-22-14-13-15-23(5-2)25(22)26-28-21(3)24(20-30-16-9-6-7-10-17-30)27(29-26)31-18-11-8-12-19-31/h13-15H,4-12,16-20H2,1-3H3