2-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]carbonylbenzenecarbonitrile hydrochloride

Systemtic Name: 2-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]carbonylbenzenecarbonitrile hydrochloride Openeye Name: 2-[4-(4-ethoxypyrimidin-2-yl)piperazine-1-carbonyl]benzonitrile hydrochloride CAS Name: 2-[[4-(4-ethoxy-2-pyrimidinyl)-1-piperazinyl]-oxomethyl]benzonitrile hydrochloride IUPAC Name: 2-[4-(4-ethoxypyrimidin-2-yl)piperazine-1-carbonyl]benzonitrile hydrochloride Traditional Name: 2-[4-(4-ethoxypyrimidin-2-yl)piperazine-1-carbonyl]benzonitrile hydrochloride Formula: C18H20ClN5O2 MolecularWeight: 373.8367

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3C#N.Cl

Isomeric SMILES

CCOC1=NC(=NC=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3C#N.Cl

InChI

InChI=1S/C18H19N5O2.ClH/c1-2-25-16-7-8-20-18(21-16)23-11-9-22(10-12-23)17(24)15-6-4-3-5-14(15)13-19;/h3-8H,2,9-12H2,1H3;1H