2-(1,3-dimethylpyrazol-4-yl)-N-[1-(dipentylamino)propan-2-yl]quinoline-4-carboxamide

Systemtic Name: 2-(1,3-dimethylpyrazol-4-yl)-N-[1-(dipentylamino)propan-2-yl]quinoline-4-carboxamide Openeye Name: 2-(1,3-dimethylpyrazol-4-yl)-N-[2-(dipentylamino)-1-methyl-ethyl]quinoline-4-carboxamide CAS Name: 2-(1,3-dimethyl-4-pyrazolyl)-N-[1-(dipentylamino)propan-2-yl]-4-quinolinecarboxamide IUPAC Name: 2-(1,3-dimethylpyrazol-4-yl)-N-[1-(dipentylamino)propan-2-yl]quinoline-4-carboxamide Traditional Name: N-[2-(diamylamino)-1-methyl-ethyl]-2-(1,3-dimethylpyrazol-4-yl)cinchoninamide Formula: C28H41N5O MolecularWeight: 463.65804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)CC(C)NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CN(N=C3C)C

Isomeric SMILES

CCCCCN(CCCCC)CC(C)NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CN(N=C3C)C

InChI

InChI=1S/C28H41N5O/c1-6-8-12-16-33(17-13-9-7-2)19-21(3)29-28(34)24-18-27(25-20-32(5)31-22(25)4)30-26-15-11-10-14-23(24)26/h10-11,14-15,18,20-21H,6-9,12-13,16-17,19H2,1-5H3,(H,29,34)