3-(2-methyl-3-oxidanylidene-5-propyl-1H-pyrazol-4-yl)-4-morpholin-4-yl-1-(phenylmethyl)pyrrole-2,5-dione

Systemtic Name: 3-(2-methyl-3-oxidanylidene-5-propyl-1H-pyrazol-4-yl)-4-morpholin-4-yl-1-(phenylmethyl)pyrrole-2,5-dione Openeye Name: 1-benzyl-3-(2-methyl-3-oxo-5-propyl-1H-pyrazol-4-yl)-4-morpholino-pyrrole-2,5-dione CAS Name: 3-(2-methyl-3-oxo-5-propyl-1H-pyrazol-4-yl)-4-(4-morpholinyl)-1-(phenylmethyl)pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-(2-methyl-3-oxo-5-propyl-1H-pyrazol-4-yl)-4-morpholin-4-ylpyrrole-2,5-dione Traditional Name: 1-benzyl-3-(5-keto-1-methyl-3-propyl-3-pyrazolin-4-yl)-4-morpholino-3-pyrroline-2,5-quinone Formula: C22H26N4O4 MolecularWeight: 410.46624

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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=CC=C3)N4CCOCC4

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C)C2=C(C(=O)N(C2=O)CC3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C22H26N4O4/c1-3-7-16-17(20(27)24(2)23-16)18-19(25-10-12-30-13-11-25)22(29)26(21(18)28)14-15-8-5-4-6-9-15/h4-6,8-9,23H,3,7,10-14H2,1-2H3