N-(2-dimethylaminoethyl)-N-[[7-fluoranyl-2-(2-methylphenyl)quinolin-3-yl]methyl]-2,5-dimethyl-pyrazole-3-carboxamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-[[7-fluoranyl-2-(2-methylphenyl)quinolin-3-yl]methyl]-2,5-dimethyl-pyrazole-3-carboxamide Openeye Name: N-(2-dimethylaminoethyl)-N-[[7-fluoro-2-(o-tolyl)-3-quinolyl]methyl]-2,5-dimethyl-pyrazole-3-carboxamide CAS Name: N-(2-dimethylaminoethyl)-N-[[7-fluoro-2-(2-methylphenyl)-3-quinolinyl]methyl]-2,5-dimethyl-3-pyrazolecarboxamide IUPAC Name: N-(2-dimethylaminoethyl)-N-[[7-fluoro-2-(2-methylphenyl)quinolin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide Traditional Name: N-(2-dimethylaminoethyl)-N-[[7-fluoro-2-(o-tolyl)-3-quinolyl]methyl]-2,5-dimethyl-pyrazole-3-carboxamide Formula: C27H30FN5O MolecularWeight: 459.558403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=C3C=CC(=CC3=N2)F)CN(CCN(C)C)C(=O)C4=CC(=NN4C)C

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=C3C=CC(=CC3=N2)F)CN(CCN(C)C)C(=O)C4=CC(=NN4C)C

InChI

InChI=1S/C27H30FN5O/c1-18-8-6-7-9-23(18)26-21(15-20-10-11-22(28)16-24(20)29-26)17-33(13-12-31(3)4)27(34)25-14-19(2)30-32(25)5/h6-11,14-16H,12-13,17H2,1-5H3