2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]-N-(3-methylbutyl)quinoline-4-carboxamide

Systemtic Name: 2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]-N-(3-methylbutyl)quinoline-4-carboxamide Openeye Name: 2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]-N-isopentyl-quinoline-4-carboxamide CAS Name: 2-[1-(4-ethylphenyl)-5-methyl-4-pyrazolyl]-N-(3-methylbutyl)-4-quinolinecarboxamide IUPAC Name: 2-[1-(4-ethylphenyl)-5-methylpyrazol-4-yl]-N-(3-methylbutyl)quinoline-4-carboxamide Traditional Name: 2-[1-(4-ethylphenyl)-5-methyl-pyrazol-4-yl]-N-isoamyl-cinchoninamide Formula: C27H30N4O MolecularWeight: 426.5533

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=C(C=N2)C3=NC4=CC=CC=C4C(=C3)C(=O)NCCC(C)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=C(C=N2)C3=NC4=CC=CC=C4C(=C3)C(=O)NCCC(C)C)C

InChI

InChI=1S/C27H30N4O/c1-5-20-10-12-21(13-11-20)31-19(4)24(17-29-31)26-16-23(27(32)28-15-14-18(2)3)22-8-6-7-9-25(22)30-26/h6-13,16-18H,5,14-15H2,1-4H3,(H,28,32)