1-(6-chloranyl-2-phenyl-pyrimidin-4-yl)azepane

Systemtic Name: 1-(6-chloranyl-2-phenyl-pyrimidin-4-yl)azepane Openeye Name: 1-(6-chloro-2-phenyl-pyrimidin-4-yl)azepane CAS Name: 1-(6-chloro-2-phenyl-4-pyrimidinyl)azepane IUPAC Name: 1-(6-chloro-2-phenylpyrimidin-4-yl)azepane Traditional Name: 1-(6-chloro-2-phenyl-pyrimidin-4-yl)azepane Formula: C16H18ClN3 MolecularWeight: 287.78722

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC(=NC(=N2)C3=CC=CC=C3)Cl

Isomeric SMILES

C1CCCN(CC1)C2=CC(=NC(=N2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C16H18ClN3/c17-14-12-15(20-10-6-1-2-7-11-20)19-16(18-14)13-8-4-3-5-9-13/h3-5,8-9,12H,1-2,6-7,10-11H2