N-[1-(dipentylamino)propan-2-yl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-[1-(dipentylamino)propan-2-yl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-[2-(dipentylamino)-1-methyl-ethyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-[1-(dipentylamino)propan-2-yl]-2-(1-methyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-[1-(dipentylamino)propan-2-yl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-[2-(diamylamino)-1-methyl-ethyl]-2-(1-methylpyrazol-4-yl)cinchoninamide Formula: C27H39N5O MolecularWeight: 449.63146

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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=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C27H39N5O/c1-5-7-11-15-32(16-12-8-6-2)19-21(3)29-27(33)24-17-26(22-18-28-31(4)20-22)30-25-14-10-9-13-23(24)25/h9-10,13-14,17-18,20-21H,5-8,11-12,15-16,19H2,1-4H3,(H,29,33)