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

Systemtic Name: N-[3-(diethylamino)propyl]-2-[4-(phenylmethyl)piperazin-1-yl]quinoline-4-carboxamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-[3-(diethylamino)propyl]quinoline-4-carboxamide CAS Name: N-[3-(diethylamino)propyl]-2-[4-(phenylmethyl)-1-piperazinyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-[3-(diethylamino)propyl]quinoline-4-carboxamide Traditional Name: 2-(4-benzylpiperazino)-N-[3-(diethylamino)propyl]cinchoninamide Formula: C28H37N5O MolecularWeight: 459.62628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H37N5O/c1-3-31(4-2)16-10-15-29-28(34)25-21-27(30-26-14-9-8-13-24(25)26)33-19-17-32(18-20-33)22-23-11-6-5-7-12-23/h5-9,11-14,21H,3-4,10,15-20,22H2,1-2H3,(H,29,34)