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

Systemtic Name: 2-[(3-azanyl-1-phenyl-propyl)amino]-4-chloranyl-5-fluoranyl-benzenecarbonitrile hydrochloride Openeye Name: 2-[(3-amino-1-phenyl-propyl)amino]-4-chloro-5-fluoro-benzonitrile hydrochloride CAS Name: 2-[(3-amino-1-phenylpropyl)amino]-4-chloro-5-fluorobenzonitrile hydrochloride IUPAC Name: 2-[(3-amino-1-phenylpropyl)amino]-4-chloro-5-fluorobenzonitrile hydrochloride Traditional Name: 2-[(3-amino-1-phenyl-propyl)amino]-4-chloro-5-fluoro-benzonitrile hydrochloride Formula: C16H16Cl2FN3 MolecularWeight: 340.222743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClFN3.ClH/c17-13-9-16(12(10-20)8-14(13)18)21-15(6-7-19)11-4-2-1-3-5-11;/h1-5,8-9,15,21H,6-7,19H2;1H