2-[4-(4-propoxypyrimidin-2-yl)piperazin-1-yl]carbonylpyridine-3-carbonitrile hydrochloride

Systemtic Name: 2-[4-(4-propoxypyrimidin-2-yl)piperazin-1-yl]carbonylpyridine-3-carbonitrile hydrochloride Openeye Name: 2-[4-(4-propoxypyrimidin-2-yl)piperazine-1-carbonyl]pyridine-3-carbonitrile hydrochloride CAS Name: 2-[oxo-[4-(4-propoxy-2-pyrimidinyl)-1-piperazinyl]methyl]-3-pyridinecarbonitrile hydrochloride IUPAC Name: 2-[4-(4-propoxypyrimidin-2-yl)piperazine-1-carbonyl]pyridine-3-carbonitrile hydrochloride Traditional Name: 2-[4-(4-propoxypyrimidin-2-yl)piperazine-1-carbonyl]nicotinonitrile hydrochloride Formula: C18H21ClN6O2 MolecularWeight: 388.85134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC(=NC=C1)N2CCN(CC2)C(=O)C3=C(C=CC=N3)C#N.Cl

Isomeric SMILES

CCCOC1=NC(=NC=C1)N2CCN(CC2)C(=O)C3=C(C=CC=N3)C#N.Cl

InChI

InChI=1S/C18H20N6O2.ClH/c1-2-12-26-15-5-7-21-18(22-15)24-10-8-23(9-11-24)17(25)16-14(13-19)4-3-6-20-16;/h3-7H,2,8-12H2,1H3;1H