4-(4-chloranyl-1H-pyrazol-5-yl)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one hydrochloride

Systemtic Name: 4-(4-chloranyl-1H-pyrazol-5-yl)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one hydrochloride Openeye Name: 4-(4-chloro-1H-pyrazol-5-yl)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one hydrochloride CAS Name: 4-(4-chloro-1H-pyrazol-5-yl)-1-[4-(4-methoxy-2-pyrimidinyl)-1-piperazinyl]-1-butanone hydrochloride IUPAC Name: 4-(4-chloro-1H-pyrazol-5-yl)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one hydrochloride Traditional Name: 4-(4-chloro-1H-pyrazol-5-yl)-1-[4-(4-methoxypyrimidin-2-yl)piperazino]butan-1-one hydrochloride Formula: C16H22Cl2N6O2 MolecularWeight: 401.29088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1)N2CCN(CC2)C(=O)CCCC3=C(C=NN3)Cl.Cl

Isomeric SMILES

COC1=NC(=NC=C1)N2CCN(CC2)C(=O)CCCC3=C(C=NN3)Cl.Cl

InChI

InChI=1S/C16H21ClN6O2.ClH/c1-25-14-5-6-18-16(20-14)23-9-7-22(8-10-23)15(24)4-2-3-13-12(17)11-19-21-13;/h5-6,11H,2-4,7-10H2,1H3,(H,19,21);1H