4-[(E)-N-[(2,6-dimethylquinolin-4-yl)amino]-C-methyl-carbonimidoyl]-1-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[(E)-N-[(2,6-dimethylquinolin-4-yl)amino]-C-methyl-carbonimidoyl]-1-methyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[(E)-N-[(2,6-dimethyl-4-quinolyl)amino]-C-methyl-carbonimidoyl]-1-methyl-2-phenyl-pyrazol-3-one CAS Name: 4-[(1E)-1-[(2,6-dimethyl-4-quinolinyl)hydrazinylidene]ethyl]-1-methyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[(E)-N-[(2,6-dimethylquinolin-4-yl)amino]-C-methylcarbonimidoyl]-1-methyl-2-phenylpyrazol-3-one Traditional Name: 4-[(E)-N-[(2,6-dimethyl-4-quinolyl)amino]-C-methyl-carbonimidoyl]-1-methyl-2-phenyl-3-pyrazolin-3-one Formula: C23H23N5O MolecularWeight: 385.46162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2NN=C(C)C3=CN(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2N/N=C(\C)/C3=CN(N(C3=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C23H23N5O/c1-15-10-11-21-19(12-15)22(13-16(2)24-21)26-25-17(3)20-14-27(4)28(23(20)29)18-8-6-5-7-9-18/h5-14H,1-4H3,(H,24,26)/b25-17+