(1R,3S,4R)-4-bromanyl-2-ethanoyl-3-methoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile

Systemtic Name: (1R,3S,4R)-4-bromanyl-2-ethanoyl-3-methoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile Openeye Name: (1R,3S,4R)-2-acetyl-4-bromo-3-methoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile CAS Name: (1R,3S,4R)-2-acetyl-4-bromo-3-methoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile IUPAC Name: (1R,3S,4R)-2-acetyl-4-bromo-3-methoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile Traditional Name: (1R,3S,4R)-2-acetyl-4-bromo-3-methoxy-3,4-dihydro-1H-isoquinoline-1-carbonitrile Formula: C13H13BrN2O2 MolecularWeight: 309.15852

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C2=CC=CC=C2C(C1OC)Br)C#N

Isomeric SMILES

CC(=O)N1[C@H](C2=CC=CC=C2[C@H]([C@@H]1OC)Br)C#N

InChI

InChI=1S/C13H13BrN2O2/c1-8(17)16-11(7-15)9-5-3-4-6-10(9)12(14)13(16)18-2/h3-6,11-13H,1-2H3/t11-,12+,13-/m0/s1