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

Systemtic Name: 2-[[1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazol-4-yl]carbonyl-ethyl-amino]ethyl-diethyl-azanium Openeye Name: 2-[[1-[4-(benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazole-4-carbonyl]-ethyl-amino]ethyl-diethyl-ammonium CAS Name: 2-[[[1-[4-(2-benzofuranyl)-2-pyrimidinyl]-5-cyclopropyl-4-pyrazolyl]-oxomethyl]-ethylamino]ethyl-diethylammonium IUPAC Name: 2-[[1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropylpyrazole-4-carbonyl]-ethylamino]ethyl-diethylazanium Traditional Name: 2-[[1-[4-(benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazole-4-carbonyl]-ethyl-amino]ethyl-diethyl-ammonium Formula: C27H33N6O2+ MolecularWeight: 473.58992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N6O2/c1-4-31(5-2)15-16-32(6-3)26(34)21-18-29-33(25(21)19-11-12-19)27-28-14-13-22(30-27)24-17-20-9-7-8-10-23(20)35-24/h7-10,13-14,17-19H,4-6,11-12,15-16H2,1-3H3/p+1