1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-3-pyridin-3-yl-propan-1-one

Systemtic Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-3-pyridin-3-yl-propan-1-one Openeye Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-3-(3-pyridyl)propan-1-one CAS Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-3-(3-pyridinyl)-1-propanone IUPAC Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one Traditional Name: 1-[4-(coumaran-5-ylmethyl)piperazino]-3-(3-pyridyl)propan-1-one Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)CCC4=CN=CC=C4

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)CCC4=CN=CC=C4

InChI

InChI=1S/C21H25N3O2/c25-21(6-4-17-2-1-8-22-15-17)24-11-9-23(10-12-24)16-18-3-5-20-19(14-18)7-13-26-20/h1-3,5,8,14-15H,4,6-7,9-13,16H2