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

Systemtic Name: N-butyl-2-[4-(phenylmethyl)piperazin-1-yl]quinoline-4-carboxamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-butyl-quinoline-4-carboxamide CAS Name: N-butyl-2-[4-(phenylmethyl)-1-piperazinyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-butylquinoline-4-carboxamide Traditional Name: 2-(4-benzylpiperazino)-N-butyl-cinchoninamide Formula: C25H30N4O MolecularWeight: 402.5319

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O/c1-2-3-13-26-25(30)22-18-24(27-23-12-8-7-11-21(22)23)29-16-14-28(15-17-29)19-20-9-5-4-6-10-20/h4-12,18H,2-3,13-17,19H2,1H3,(H,26,30)