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

Systemtic Name: 3-(2-methyl-3-oxidanylidene-5-propyl-1H-pyrazol-4-yl)-4-[methyl-(phenylmethyl)amino]-1-(2-methylpropyl)pyrrole-2,5-dione Openeye Name: 3-[benzyl(methyl)amino]-1-isobutyl-4-(2-methyl-3-oxo-5-propyl-1H-pyrazol-4-yl)pyrrole-2,5-dione CAS Name: 3-(2-methyl-3-oxo-5-propyl-1H-pyrazol-4-yl)-4-[methyl-(phenylmethyl)amino]-1-(2-methylpropyl)pyrrole-2,5-dione IUPAC Name: 3-[benzyl(methyl)amino]-4-(2-methyl-3-oxo-5-propyl-1H-pyrazol-4-yl)-1-(2-methylpropyl)pyrrole-2,5-dione Traditional Name: 3-[benzyl(methyl)amino]-1-isobutyl-4-(5-keto-1-methyl-3-propyl-3-pyrazolin-4-yl)-3-pyrroline-2,5-quinone Formula: C23H30N4O3 MolecularWeight: 410.5093

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O3/c1-6-10-17-18(21(28)26(5)24-17)19-20(23(30)27(22(19)29)13-15(2)3)25(4)14-16-11-8-7-9-12-16/h7-9,11-12,15,24H,6,10,13-14H2,1-5H3