6-butyl-4-chloranyl-quinoline-3-carbonitrile

Systemtic Name: 6-butyl-4-chloranyl-quinoline-3-carbonitrile Openeye Name: 6-butyl-4-chloro-quinoline-3-carbonitrile CAS Name: 6-butyl-4-chloro-3-quinolinecarbonitrile IUPAC Name: 6-butyl-4-chloroquinoline-3-carbonitrile Traditional Name: 6-butyl-4-chloro-quinoline-3-carbonitrile Formula: C14H13ClN2 MolecularWeight: 244.71942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C(=CN=C2C=C1)C#N)Cl

Isomeric SMILES

CCCCC1=CC2=C(C(=CN=C2C=C1)C#N)Cl

InChI

InChI=1S/C14H13ClN2/c1-2-3-4-10-5-6-13-12(7-10)14(15)11(8-16)9-17-13/h5-7,9H,2-4H2,1H3