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

Systemtic Name: 2-[4-(4-butoxypyrimidin-2-yl)piperazin-1-yl]carbonylbenzenecarbonitrile hydrochloride Openeye Name: 2-[4-(4-butoxypyrimidin-2-yl)piperazine-1-carbonyl]benzonitrile hydrochloride CAS Name: 2-[[4-(4-butoxy-2-pyrimidinyl)-1-piperazinyl]-oxomethyl]benzonitrile hydrochloride IUPAC Name: 2-[4-(4-butoxypyrimidin-2-yl)piperazine-1-carbonyl]benzonitrile hydrochloride Traditional Name: 2-[4-(4-butoxypyrimidin-2-yl)piperazine-1-carbonyl]benzonitrile hydrochloride Formula: C20H24ClN5O2 MolecularWeight: 401.88986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC(=NC=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3C#N.Cl

Isomeric SMILES

CCCCOC1=NC(=NC=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3C#N.Cl

InChI

InChI=1S/C20H23N5O2.ClH/c1-2-3-14-27-18-8-9-22-20(23-18)25-12-10-24(11-13-25)19(26)17-7-5-4-6-16(17)15-21;/h4-9H,2-3,10-14H2,1H3;1H