2-[(E)-2-(3-chloranyl-4-fluoranyl-phenyl)ethenyl]-4-methyl-6-pyrrolidin-1-yl-pyrimidine

Systemtic Name: 2-[(E)-2-(3-chloranyl-4-fluoranyl-phenyl)ethenyl]-4-methyl-6-pyrrolidin-1-yl-pyrimidine Openeye Name: 2-[(E)-2-(3-chloro-4-fluoro-phenyl)vinyl]-4-methyl-6-pyrrolidin-1-yl-pyrimidine CAS Name: 2-[(E)-2-(3-chloro-4-fluorophenyl)ethenyl]-4-methyl-6-(1-pyrrolidinyl)pyrimidine IUPAC Name: 2-[(E)-2-(3-chloro-4-fluorophenyl)ethenyl]-4-methyl-6-pyrrolidin-1-ylpyrimidine Traditional Name: 2-[(E)-2-(3-chloro-4-fluoro-phenyl)vinyl]-4-methyl-6-pyrrolidino-pyrimidine Formula: C17H17ClFN3 MolecularWeight: 317.788383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C=CC2=CC(=C(C=C2)F)Cl)N3CCCC3

Isomeric SMILES

CC1=CC(=NC(=N1)/C=C/C2=CC(=C(C=C2)F)Cl)N3CCCC3

InChI

InChI=1S/C17H17ClFN3/c1-12-10-17(22-8-2-3-9-22)21-16(20-12)7-5-13-4-6-15(19)14(18)11-13/h4-7,10-11H,2-3,8-9H2,1H3/b7-5+