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

Systemtic Name: (1R,3S,4R)-4-bromanyl-3-methoxy-2-propanoyl-3,4-dihydro-1H-isoquinoline-1-carbonitrile Openeye Name: (1R,3S,4R)-4-bromo-3-methoxy-2-propanoyl-3,4-dihydro-1H-isoquinoline-1-carbonitrile CAS Name: (1R,3S,4R)-4-bromo-3-methoxy-2-(1-oxopropyl)-3,4-dihydro-1H-isoquinoline-1-carbonitrile IUPAC Name: (1R,3S,4R)-4-bromo-3-methoxy-2-propanoyl-3,4-dihydro-1H-isoquinoline-1-carbonitrile Traditional Name: (1R,3S,4R)-4-bromo-3-methoxy-2-propionyl-3,4-dihydro-1H-isoquinoline-1-carbonitrile Formula: C14H15BrN2O2 MolecularWeight: 323.1851

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15BrN2O2/c1-3-12(18)17-11(8-16)9-6-4-5-7-10(9)13(15)14(17)19-2/h4-7,11,13-14H,3H2,1-2H3/t11-,13+,14-/m0/s1