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

Systemtic Name: 2-[[1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazol-4-yl]carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[[1-[4-(benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazole-4-carbonyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[[1-[4-(2-benzofuranyl)-2-pyrimidinyl]-5-cyclopropyl-4-pyrazolyl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropylpyrazole-4-carbonyl]amino]ethyl-diethylazanium Traditional Name: 2-[[1-[4-(benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazole-4-carbonyl]amino]ethyl-diethyl-ammonium Formula: C25H29N6O2+ MolecularWeight: 445.53676

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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)C5CC5

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=C(N(N=C1)C2=NC=CC(=N2)C3=CC4=CC=CC=C4O3)C5CC5

InChI

InChI=1S/C25H28N6O2/c1-3-30(4-2)14-13-26-24(32)19-16-28-31(23(19)17-9-10-17)25-27-12-11-20(29-25)22-15-18-7-5-6-8-21(18)33-22/h5-8,11-12,15-17H,3-4,9-10,13-14H2,1-2H3,(H,26,32)/p+1