1-methyl-4-[(E)-C-methyl-N-[(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)amino]carbonimidoyl]-2-phenyl-pyrazol-3-one

Systemtic Name: 1-methyl-4-[(E)-C-methyl-N-[(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)amino]carbonimidoyl]-2-phenyl-pyrazol-3-one Openeye Name: 1-methyl-4-[(E)-C-methyl-N-[(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)amino]carbonimidoyl]-2-phenyl-pyrazol-3-one CAS Name: 1-methyl-4-[(1E)-1-[(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)hydrazinylidene]ethyl]-2-phenyl-3-pyrazolone IUPAC Name: 1-methyl-4-[(E)-C-methyl-N-[(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)amino]carbonimidoyl]-2-phenylpyrazol-3-one Traditional Name: 1-methyl-4-[(E)-C-methyl-N-[(6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-yl)amino]carbonimidoyl]-2-phenyl-3-pyrazolin-3-one Formula: C23H21N5O3 MolecularWeight: 415.44454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC3=C(C=C2C(=C1)NN=C(C)C4=CN(N(C4=O)C5=CC=CC=C5)C)OCO3

Isomeric SMILES

CC1=NC2=CC3=C(C=C2C(=C1)N/N=C(\C)/C4=CN(N(C4=O)C5=CC=CC=C5)C)OCO3

InChI

InChI=1S/C23H21N5O3/c1-14-9-20(17-10-21-22(31-13-30-21)11-19(17)24-14)26-25-15(2)18-12-27(3)28(23(18)29)16-7-5-4-6-8-16/h4-12H,13H2,1-3H3,(H,24,26)/b25-15+