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

Systemtic Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propan-1-one Openeye Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propan-1-one CAS Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-propanone IUPAC Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propan-1-one Traditional Name: 1-[4-(coumaran-5-ylmethyl)piperazino]-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propan-1-one Formula: C27H32N4O2 MolecularWeight: 444.56858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C27H32N4O2/c1-20-25(21(2)31(28-20)24-6-4-3-5-7-24)9-11-27(32)30-15-13-29(14-16-30)19-22-8-10-26-23(18-22)12-17-33-26/h3-8,10,18H,9,11-17,19H2,1-2H3