1-(furan-2-ylmethyl)-3-(2-methyl-3-oxidanylidene-5-propyl-1H-pyrazol-4-yl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione

Systemtic Name: 1-(furan-2-ylmethyl)-3-(2-methyl-3-oxidanylidene-5-propyl-1H-pyrazol-4-yl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione Openeye Name: 1-(2-furylmethyl)-3-(2-methyl-3-oxo-5-propyl-1H-pyrazol-4-yl)-4-(4-methyl-1-piperidyl)pyrrole-2,5-dione CAS Name: 1-(2-furanylmethyl)-3-(2-methyl-3-oxo-5-propyl-1H-pyrazol-4-yl)-4-(4-methyl-1-piperidinyl)pyrrole-2,5-dione IUPAC Name: 1-(furan-2-ylmethyl)-3-(2-methyl-3-oxo-5-propyl-1H-pyrazol-4-yl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione Traditional Name: 1-(2-furfuryl)-3-(5-keto-1-methyl-3-propyl-3-pyrazolin-4-yl)-4-(4-methylpiperidino)-3-pyrroline-2,5-quinone Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1)C)C2=C(C(=O)N(C2=O)CC3=CC=CO3)N4CCC(CC4)C

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C)C2=C(C(=O)N(C2=O)CC3=CC=CO3)N4CCC(CC4)C

InChI

InChI=1S/C22H28N4O4/c1-4-6-16-17(20(27)24(3)23-16)18-19(25-10-8-14(2)9-11-25)22(29)26(21(18)28)13-15-7-5-12-30-15/h5,7,12,14,23H,4,6,8-11,13H2,1-3H3