1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione

Systemtic Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione Openeye Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione CAS Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione IUPAC Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butane-1,4-dione Traditional Name: 1-[4-(coumaran-5-ylmethyl)piperazino]-4-(3-phenyl-2-pyrazolin-1-yl)butane-1,4-dione Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)CCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)CCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C26H30N4O3/c31-25(8-9-26(32)30-12-10-23(27-30)21-4-2-1-3-5-21)29-15-13-28(14-16-29)19-20-6-7-24-22(18-20)11-17-33-24/h1-7,18H,8-17,19H2