[1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

Systemtic Name: [1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone Openeye Name: [1-[4-(benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazol-4-yl]-(4-isopropylpiperazin-1-yl)methanone CAS Name: [1-[4-(2-benzofuranyl)-2-pyrimidinyl]-5-cyclopropyl-4-pyrazolyl]-(4-propan-2-yl-1-piperazinyl)methanone IUPAC Name: [1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropylpyrazol-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone Traditional Name: [1-[4-(benzofuran-2-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazol-4-yl]-(4-isopropylpiperazino)methanone Formula: C26H28N6O2 MolecularWeight: 456.53952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC5=CC=CC=C5O4)C6CC6

Isomeric SMILES

CC(C)N1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC5=CC=CC=C5O4)C6CC6

InChI

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