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

Systemtic Name: 1-[4-(4-methylphenyl)pyrimidin-2-yl]azepane Openeye Name: 1-[4-(p-tolyl)pyrimidin-2-yl]azepane CAS Name: 1-[4-(4-methylphenyl)-2-pyrimidinyl]azepane IUPAC Name: 1-[4-(4-methylphenyl)pyrimidin-2-yl]azepane Traditional Name: 1-[4-(p-tolyl)pyrimidin-2-yl]azepane Formula: C17H21N3 MolecularWeight: 267.36874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3/c1-14-6-8-15(9-7-14)16-10-11-18-17(19-16)20-12-4-2-3-5-13-20/h6-11H,2-5,12-13H2,1H3