1-(2-methoxyethyl)-3-(2-methyl-3-oxidanylidene-5-propyl-1H-pyrazol-4-yl)-4-[methyl-(phenylmethyl)amino]pyrrole-2,5-dione

Systemtic Name: 1-(2-methoxyethyl)-3-(2-methyl-3-oxidanylidene-5-propyl-1H-pyrazol-4-yl)-4-[methyl-(phenylmethyl)amino]pyrrole-2,5-dione Openeye Name: 3-[benzyl(methyl)amino]-1-(2-methoxyethyl)-4-(2-methyl-3-oxo-5-propyl-1H-pyrazol-4-yl)pyrrole-2,5-dione CAS Name: 1-(2-methoxyethyl)-3-(2-methyl-3-oxo-5-propyl-1H-pyrazol-4-yl)-4-[methyl-(phenylmethyl)amino]pyrrole-2,5-dione IUPAC Name: 3-[benzyl(methyl)amino]-1-(2-methoxyethyl)-4-(2-methyl-3-oxo-5-propyl-1H-pyrazol-4-yl)pyrrole-2,5-dione Traditional Name: 3-[benzyl(methyl)amino]-4-(5-keto-1-methyl-3-propyl-3-pyrazolin-4-yl)-1-(2-methoxyethyl)-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)CCOC)N(C)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O4/c1-5-9-16-17(20(27)25(3)23-16)18-19(22(29)26(21(18)28)12-13-30-4)24(2)14-15-10-7-6-8-11-15/h6-8,10-11,23H,5,9,12-14H2,1-4H3