[1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-[4-(benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone CAS Name: [1-[4-(2-benzofuranyl)-2-pyrimidinyl]-5-cyclopropyl-4-pyrazolyl]-(4-propyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropylpyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-[4-(benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Formula: C26H29N6O2+ MolecularWeight: 457.54746

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC5=CC=CC=C5O4)C6CC6

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC5=CC=CC=C5O4)C6CC6

InChI

InChI=1S/C26H28N6O2/c1-2-11-30-12-14-31(15-13-30)25(33)20-17-28-32(24(20)18-7-8-18)26-27-10-9-21(29-26)23-16-19-5-3-4-6-22(19)34-23/h3-6,9-10,16-18H,2,7-8,11-15H2,1H3/p+1