4-[(E)-4-bromanyl-1-(2-methylphenyl)but-1-enyl]pyridine

Systemtic Name: 4-[(E)-4-bromanyl-1-(2-methylphenyl)but-1-enyl]pyridine Openeye Name: 4-[(E)-4-bromo-1-(o-tolyl)but-1-enyl]pyridine CAS Name: 4-[(E)-4-bromo-1-(2-methylphenyl)but-1-enyl]pyridine IUPAC Name: 4-[(E)-4-bromo-1-(2-methylphenyl)but-1-enyl]pyridine Traditional Name: 4-[(E)-4-bromo-1-(o-tolyl)but-1-enyl]pyridine Formula: C16H16BrN MolecularWeight: 302.20894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=CCCBr)C2=CC=NC=C2

Isomeric SMILES

CC1=CC=CC=C1/C(=C/CCBr)/C2=CC=NC=C2

InChI

InChI=1S/C16H16BrN/c1-13-5-2-3-6-15(13)16(7-4-10-17)14-8-11-18-12-9-14/h2-3,5-9,11-12H,4,10H2,1H3/b16-7+