3-[2-azanyl-3-[5-[(E)-2-pyridin-4-ylethenyl]pyridin-3-yl]oxy-propyl]benzenecarbonitrile hydrochloride

Systemtic Name: 3-[2-azanyl-3-[5-[(E)-2-pyridin-4-ylethenyl]pyridin-3-yl]oxy-propyl]benzenecarbonitrile hydrochloride Openeye Name: 3-[2-amino-3-[[5-[(E)-2-(4-pyridyl)vinyl]-3-pyridyl]oxy]propyl]benzonitrile hydrochloride CAS Name: 3-[2-amino-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propyl]benzonitrile hydrochloride IUPAC Name: 3-[2-amino-3-[5-[(E)-2-pyridin-4-ylethenyl]pyridin-3-yl]oxypropyl]benzonitrile hydrochloride Traditional Name: 3-[2-amino-3-[[5-[(E)-2-(4-pyridyl)vinyl]-3-pyridyl]oxy]propyl]benzonitrile hydrochloride Formula: C22H21ClN4O MolecularWeight: 392.88134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CC(COC2=CN=CC(=C2)C=CC3=CC=NC=C3)N)C#N.Cl

Isomeric SMILES

C1=CC(=CC(=C1)CC(COC2=CN=CC(=C2)/C=C/C3=CC=NC=C3)N)C#N.Cl

InChI

InChI=1S/C22H20N4O.ClH/c23-13-19-3-1-2-18(10-19)11-21(24)16-27-22-12-20(14-26-15-22)5-4-17-6-8-25-9-7-17;/h1-10,12,14-15,21H,11,16,24H2;1H/b5-4+;