N-butyl-2-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]-6-methyl-quinoline-4-carboxamide

Systemtic Name: N-butyl-2-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]-6-methyl-quinoline-4-carboxamide Openeye Name: N-butyl-2-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]-6-methyl-quinoline-4-carboxamide CAS Name: N-butyl-2-[1-(4-methoxyphenyl)-5-methyl-4-pyrazolyl]-6-methyl-4-quinolinecarboxamide IUPAC Name: N-butyl-2-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-6-methylquinoline-4-carboxamide Traditional Name: N-butyl-2-[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]-6-methyl-cinchoninamide Formula: C26H28N4O2 MolecularWeight: 428.52612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C3=C(N(N=C3)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CCCCNC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C3=C(N(N=C3)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C26H28N4O2/c1-5-6-13-27-26(31)22-15-25(29-24-12-7-17(2)14-21(22)24)23-16-28-30(18(23)3)19-8-10-20(32-4)11-9-19/h7-12,14-16H,5-6,13H2,1-4H3,(H,27,31)