4-[[3-azanylpropyl-[(2-chloranyl-6-fluoranyl-phenyl)methyl]amino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[3-azanylpropyl-[(2-chloranyl-6-fluoranyl-phenyl)methyl]amino]methyl]benzenecarbonitrile Openeye Name: 4-[[3-aminopropyl-[(2-chloro-6-fluoro-phenyl)methyl]amino]methyl]benzonitrile CAS Name: 4-[[3-aminopropyl-[(2-chloro-6-fluorophenyl)methyl]amino]methyl]benzonitrile IUPAC Name: 4-[[3-aminopropyl-[(2-chloro-6-fluorophenyl)methyl]amino]methyl]benzonitrile Traditional Name: 4-[[3-aminopropyl-(2-chloro-6-fluoro-benzyl)amino]methyl]benzonitrile Formula: C18H19ClFN3 MolecularWeight: 331.814963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)CN(CCCN)CC2=CC=C(C=C2)C#N)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CN(CCCN)CC2=CC=C(C=C2)C#N)F

InChI

InChI=1S/C18H19ClFN3/c19-17-3-1-4-18(20)16(17)13-23(10-2-9-21)12-15-7-5-14(11-22)6-8-15/h1,3-8H,2,9-10,12-13,21H2