2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[4-(5-phenoxyfuran-2-yl)carbonylpiperazin-1-yl]isoindole-1,3-dione

Systemtic Name: 2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[4-(5-phenoxyfuran-2-yl)carbonylpiperazin-1-yl]isoindole-1,3-dione Openeye Name: 2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[4-(5-phenoxyfuran-2-carbonyl)piperazin-1-yl]isoindoline-1,3-dione CAS Name: 2-[(1,3-dimethyl-4-pyrazolyl)methyl]-4-[4-[oxo-(5-phenoxy-2-furanyl)methyl]-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[4-(5-phenoxyfuran-2-carbonyl)piperazin-1-yl]isoindole-1,3-dione Traditional Name: 2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[4-(5-phenoxy-2-furoyl)piperazino]isoindoline-1,3-quinone Formula: C29H27N5O5 MolecularWeight: 525.55518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)C(=O)C5=CC=C(O5)OC6=CC=CC=C6)C

Isomeric SMILES

CC1=NN(C=C1CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCN(CC4)C(=O)C5=CC=C(O5)OC6=CC=CC=C6)C

InChI

InChI=1S/C29H27N5O5/c1-19-20(17-31(2)30-19)18-34-27(35)22-9-6-10-23(26(22)29(34)37)32-13-15-33(16-14-32)28(36)24-11-12-25(39-24)38-21-7-4-3-5-8-21/h3-12,17H,13-16,18H2,1-2H3