1-(3-azanylpropyl)-1-(4-chlorophenyl)-3H-2-benzofuran-5-carbonitrile hydrochloride

Systemtic Name: 1-(3-azanylpropyl)-1-(4-chlorophenyl)-3H-2-benzofuran-5-carbonitrile hydrochloride Openeye Name: 1-(3-aminopropyl)-1-(4-chlorophenyl)-3H-isobenzofuran-5-carbonitrile hydrochloride CAS Name: 1-(3-aminopropyl)-1-(4-chlorophenyl)-3H-isobenzofuran-5-carbonitrile hydrochloride IUPAC Name: 1-(3-aminopropyl)-1-(4-chlorophenyl)-3H-2-benzofuran-5-carbonitrile hydrochloride Traditional Name: 1-(3-aminopropyl)-1-(4-chlorophenyl)phthalan-5-carbonitrile hydrochloride Formula: C18H18Cl2N2O MolecularWeight: 349.25432

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C#N)C(O1)(CCCN)C3=CC=C(C=C3)Cl.Cl

Isomeric SMILES

C1C2=C(C=CC(=C2)C#N)C(O1)(CCCN)C3=CC=C(C=C3)Cl.Cl

InChI

InChI=1S/C18H17ClN2O.ClH/c19-16-5-3-15(4-6-16)18(8-1-9-20)17-7-2-13(11-21)10-14(17)12-22-18;/h2-7,10H,1,8-9,12,20H2;1H