4-bromanyl-3-phenyl-1-prop-2-ynoxy-isoquinoline

Systemtic Name: 4-bromanyl-3-phenyl-1-prop-2-ynoxy-isoquinoline Openeye Name: 4-bromo-3-phenyl-1-prop-2-ynoxy-isoquinoline CAS Name: 4-bromo-3-phenyl-1-prop-2-ynoxyisoquinoline IUPAC Name: 4-bromo-3-phenyl-1-prop-2-ynoxyisoquinoline Traditional Name: 4-bromo-3-phenyl-1-propargyloxy-isoquinoline Formula: C18H12BrNO MolecularWeight: 338.19798

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=NC(=C(C2=CC=CC=C21)Br)C3=CC=CC=C3

Isomeric SMILES

C#CCOC1=NC(=C(C2=CC=CC=C21)Br)C3=CC=CC=C3

InChI

InChI=1S/C18H12BrNO/c1-2-12-21-18-15-11-7-6-10-14(15)16(19)17(20-18)13-8-4-3-5-9-13/h1,3-11H,12H2