N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-[4-(phenylmethyl)piperazin-1-yl]quinoline-4-carboxamide

Systemtic Name: N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-[4-(phenylmethyl)piperazin-1-yl]quinoline-4-carboxamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]quinoline-4-carboxamide CAS Name: N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-[4-(phenylmethyl)-1-piperazinyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]quinoline-4-carboxamide Traditional Name: 2-(4-benzylpiperazino)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]cinchoninamide Formula: C31H38N4O MolecularWeight: 482.65962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCNC(=O)C1=CC(=NC2=CC=CC=C21)N3CCN(CC3)CC4=CC=CC=C4)C)C

Isomeric SMILES

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

InChI

InChI=1S/C31H38N4O/c1-24(2)10-9-11-25(3)16-17-32-31(36)28-22-30(33-29-15-8-7-14-27(28)29)35-20-18-34(19-21-35)23-26-12-5-4-6-13-26/h4-8,10,12-16,22H,9,11,17-21,23H2,1-3H3,(H,32,36)/b25-16+