2-[2-(5-bromanyl-2-methoxy-phenyl)ethyl]-3-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenecarbonitrile

Systemtic Name: 2-[2-(5-bromanyl-2-methoxy-phenyl)ethyl]-3-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenecarbonitrile Openeye Name: 2-[2-(5-bromo-2-methoxy-phenyl)ethyl]-3-(1,4,5,6-tetrahydropyrimidin-2-yl)benzonitrile CAS Name: 2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-(1,4,5,6-tetrahydropyrimidin-2-yl)benzonitrile IUPAC Name: 2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-(1,4,5,6-tetrahydropyrimidin-2-yl)benzonitrile Traditional Name: 2-[2-(5-bromo-2-methoxy-phenyl)ethyl]-3-(1,4,5,6-tetrahydropyrimidin-2-yl)benzonitrile Formula: C20H20BrN3O MolecularWeight: 398.2963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CCC2=C(C=CC=C2C3=NCCCN3)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CCC2=C(C=CC=C2C3=NCCCN3)C#N

InChI

InChI=1S/C20H20BrN3O/c1-25-19-9-7-16(21)12-14(19)6-8-17-15(13-22)4-2-5-18(17)20-23-10-3-11-24-20/h2,4-5,7,9,12H,3,6,8,10-11H2,1H3,(H,23,24)