2-[[1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]carbonylamino]ethyl-diethyl-azanium

Systemtic Name: 2-[[1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[[1-[4-(benzofuran-2-yl)pyrimidin-2-yl]-5-methyl-pyrazole-4-carbonyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[[1-[4-(2-benzofuranyl)-2-pyrimidinyl]-5-methyl-4-pyrazolyl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-methylpyrazole-4-carbonyl]amino]ethyl-diethylazanium Traditional Name: 2-[[1-[4-(benzofuran-2-yl)pyrimidin-2-yl]-5-methyl-pyrazole-4-carbonyl]amino]ethyl-diethyl-ammonium Formula: C23H27N6O2+ MolecularWeight: 419.49948

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1=C(N(N=C1)C2=NC=CC(=N2)C3=CC4=CC=CC=C4O3)C

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=C(N(N=C1)C2=NC=CC(=N2)C3=CC4=CC=CC=C4O3)C

InChI

InChI=1S/C23H26N6O2/c1-4-28(5-2)13-12-24-22(30)18-15-26-29(16(18)3)23-25-11-10-19(27-23)21-14-17-8-6-7-9-20(17)31-21/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,24,30)/p+1