N-(2-ethylbutyl)-2-[4-(phenylmethyl)piperazin-1-yl]quinoline-4-carboxamide

Systemtic Name: N-(2-ethylbutyl)-2-[4-(phenylmethyl)piperazin-1-yl]quinoline-4-carboxamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-(2-ethylbutyl)quinoline-4-carboxamide CAS Name: N-(2-ethylbutyl)-2-[4-(phenylmethyl)-1-piperazinyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-(2-ethylbutyl)quinoline-4-carboxamide Traditional Name: 2-(4-benzylpiperazino)-N-(2-ethylbutyl)cinchoninamide Formula: C27H34N4O MolecularWeight: 430.58506

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CNC(=O)C1=CC(=NC2=CC=CC=C21)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCC(CC)CNC(=O)C1=CC(=NC2=CC=CC=C21)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H34N4O/c1-3-21(4-2)19-28-27(32)24-18-26(29-25-13-9-8-12-23(24)25)31-16-14-30(15-17-31)20-22-10-6-5-7-11-22/h5-13,18,21H,3-4,14-17,19-20H2,1-2H3,(H,28,32)