1-[2-(4-methylphenyl)-6-propan-2-yl-pyrimidin-4-yl]azepane

Systemtic Name: 1-[2-(4-methylphenyl)-6-propan-2-yl-pyrimidin-4-yl]azepane Openeye Name: 1-[6-isopropyl-2-(p-tolyl)pyrimidin-4-yl]azepane CAS Name: 1-[2-(4-methylphenyl)-6-propan-2-yl-4-pyrimidinyl]azepane IUPAC Name: 1-[2-(4-methylphenyl)-6-propan-2-ylpyrimidin-4-yl]azepane Traditional Name: 1-[6-isopropyl-2-(p-tolyl)pyrimidin-4-yl]azepane Formula: C20H27N3 MolecularWeight: 309.44848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CC(=N2)N3CCCCCC3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CC(=N2)N3CCCCCC3)C(C)C

InChI

InChI=1S/C20H27N3/c1-15(2)18-14-19(23-12-6-4-5-7-13-23)22-20(21-18)17-10-8-16(3)9-11-17/h8-11,14-15H,4-7,12-13H2,1-3H3