[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)methanone

Systemtic Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)methanone Openeye Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)methanone CAS Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-(1,3-dimethyl-5-pyrazolo[3,4-b]pyridinyl)methanone IUPAC Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)methanone Traditional Name: [4-(coumaran-5-ylmethyl)piperazino]-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)methanone Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCC5)C

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCC5)C

InChI

InChI=1S/C22H25N5O2/c1-15-19-12-18(13-23-21(19)25(2)24-15)22(28)27-8-6-26(7-9-27)14-16-3-4-20-17(11-16)5-10-29-20/h3-4,11-13H,5-10,14H2,1-2H3