4-[7-[[(2-phenylpiperidin-3-yl)amino]methyl]-1-benzofuran-5-yl]pyridine-2-carbonitrile dihydrochloride

Systemtic Name: 4-[7-[[(2-phenylpiperidin-3-yl)amino]methyl]-1-benzofuran-5-yl]pyridine-2-carbonitrile dihydrochloride Openeye Name: 4-[7-[[(2-phenyl-3-piperidyl)amino]methyl]benzofuran-5-yl]pyridine-2-carbonitrile dihydrochloride CAS Name: 4-[7-[[(2-phenyl-3-piperidinyl)amino]methyl]-5-benzofuranyl]-2-pyridinecarbonitrile dihydrochloride IUPAC Name: 4-[7-[[(2-phenylpiperidin-3-yl)amino]methyl]-1-benzofuran-5-yl]pyridine-2-carbonitrile dihydrochloride Traditional Name: 4-[7-[[(2-phenyl-3-piperidyl)amino]methyl]benzofuran-5-yl]picolinonitrile dihydrochloride Formula: C26H26Cl2N4O MolecularWeight: 481.41684

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(NC1)C2=CC=CC=C2)NCC3=C4C(=CC(=C3)C5=CC(=NC=C5)C#N)C=CO4.Cl.Cl

Isomeric SMILES

C1CC(C(NC1)C2=CC=CC=C2)NCC3=C4C(=CC(=C3)C5=CC(=NC=C5)C#N)C=CO4.Cl.Cl

InChI

InChI=1S/C26H24N4O.2ClH/c27-16-23-15-19(8-11-28-23)21-13-20-9-12-31-26(20)22(14-21)17-30-24-7-4-10-29-25(24)18-5-2-1-3-6-18;;/h1-3,5-6,8-9,11-15,24-25,29-30H,4,7,10,17H2;2*1H