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

Systemtic Name: N-(cyclohexylmethyl)-2-[4-(phenylmethyl)piperazin-1-yl]quinoline-4-carboxamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)quinoline-4-carboxamide CAS Name: N-(cyclohexylmethyl)-2-[4-(phenylmethyl)-1-piperazinyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)quinoline-4-carboxamide Traditional Name: 2-(4-benzylpiperazino)-N-(cyclohexylmethyl)cinchoninamide Formula: C28H34N4O MolecularWeight: 442.59576

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)C2=CC(=NC3=CC=CC=C32)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)CNC(=O)C2=CC(=NC3=CC=CC=C32)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H34N4O/c33-28(29-20-22-9-3-1-4-10-22)25-19-27(30-26-14-8-7-13-24(25)26)32-17-15-31(16-18-32)21-23-11-5-2-6-12-23/h2,5-8,11-14,19,22H,1,3-4,9-10,15-18,20-21H2,(H,29,33)