1-chloranyl-4-(2-pyridin-3-ylethyl)isoquinoline

Systemtic Name: 1-chloranyl-4-(2-pyridin-3-ylethyl)isoquinoline Openeye Name: 1-chloro-4-[2-(3-pyridyl)ethyl]isoquinoline CAS Name: 1-chloro-4-[2-(3-pyridinyl)ethyl]isoquinoline IUPAC Name: 1-chloro-4-(2-pyridin-3-ylethyl)isoquinoline Traditional Name: 1-chloro-4-[2-(3-pyridyl)ethyl]isoquinoline Formula: C16H13ClN2 MolecularWeight: 268.74082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN=C2Cl)CCC3=CN=CC=C3

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN=C2Cl)CCC3=CN=CC=C3

InChI

InChI=1S/C16H13ClN2/c17-16-15-6-2-1-5-14(15)13(11-19-16)8-7-12-4-3-9-18-10-12/h1-6,9-11H,7-8H2