4-chloranyl-5-fluoranyl-2-[[3-(methylamino)-1-phenyl-propyl]amino]benzenecarbonitrile hydrochloride

Systemtic Name: 4-chloranyl-5-fluoranyl-2-[[3-(methylamino)-1-phenyl-propyl]amino]benzenecarbonitrile hydrochloride Openeye Name: 4-chloro-5-fluoro-2-[[3-(methylamino)-1-phenyl-propyl]amino]benzonitrile hydrochloride CAS Name: 4-chloro-5-fluoro-2-[[3-(methylamino)-1-phenylpropyl]amino]benzonitrile hydrochloride IUPAC Name: 4-chloro-5-fluoro-2-[[3-(methylamino)-1-phenylpropyl]amino]benzonitrile hydrochloride Traditional Name: 4-chloro-5-fluoro-2-[[3-(methylamino)-1-phenyl-propyl]amino]benzonitrile hydrochloride Formula: C17H18Cl2FN3 MolecularWeight: 354.249323

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC(C1=CC=CC=C1)NC2=CC(=C(C=C2C#N)F)Cl.Cl

Isomeric SMILES

CNCCC(C1=CC=CC=C1)NC2=CC(=C(C=C2C#N)F)Cl.Cl

InChI

InChI=1S/C17H17ClFN3.ClH/c1-21-8-7-16(12-5-3-2-4-6-12)22-17-10-14(18)15(19)9-13(17)11-20;/h2-6,9-10,16,21-22H,7-8H2,1H3;1H