2-[4-(phenylmethyl)piperazin-1-yl]-N-(3-propoxypropyl)quinoline-4-carboxamide

Systemtic Name: 2-[4-(phenylmethyl)piperazin-1-yl]-N-(3-propoxypropyl)quinoline-4-carboxamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-(3-propoxypropyl)quinoline-4-carboxamide CAS Name: 2-[4-(phenylmethyl)-1-piperazinyl]-N-(3-propoxypropyl)-4-quinolinecarboxamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-(3-propoxypropyl)quinoline-4-carboxamide Traditional Name: 2-(4-benzylpiperazino)-N-(3-propoxypropyl)cinchoninamide Formula: C27H34N4O2 MolecularWeight: 446.58446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O2/c1-2-18-33-19-8-13-28-27(32)24-20-26(29-25-12-7-6-11-23(24)25)31-16-14-30(15-17-31)21-22-9-4-3-5-10-22/h3-7,9-12,20H,2,8,13-19,21H2,1H3,(H,28,32)