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

Systemtic Name: (E)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-3-pyridin-4-yl-prop-2-en-1-one Openeye Name: (E)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-3-(4-pyridyl)prop-2-en-1-one CAS Name: (E)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-3-pyridin-4-yl-2-propen-1-one IUPAC Name: (E)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-3-pyridin-4-ylprop-2-en-1-one Traditional Name: (E)-1-[4-(coumaran-5-ylmethyl)piperazino]-3-(4-pyridyl)prop-2-en-1-one Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)C=CC4=CC=NC=C4

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)/C=C/C4=CC=NC=C4

InChI

InChI=1S/C21H23N3O2/c25-21(4-2-17-5-8-22-9-6-17)24-12-10-23(11-13-24)16-18-1-3-20-19(15-18)7-14-26-20/h1-6,8-9,15H,7,10-14,16H2/b4-2+