[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone

Systemtic Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone Openeye Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone CAS Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-[3-(2-pyrimidinylamino)phenyl]methanone IUPAC Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone Traditional Name: [4-(coumaran-5-ylmethyl)piperazino]-[3-(2-pyrimidylamino)phenyl]methanone Formula: C24H25N5O2 MolecularWeight: 415.4876

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)C4=CC(=CC=C4)NC5=NC=CC=N5

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)C4=CC(=CC=C4)NC5=NC=CC=N5

InChI

InChI=1S/C24H25N5O2/c30-23(20-3-1-4-21(16-20)27-24-25-8-2-9-26-24)29-12-10-28(11-13-29)17-18-5-6-22-19(15-18)7-14-31-22/h1-6,8-9,15-16H,7,10-14,17H2,(H,25,26,27)