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

Systemtic Name: N-methyl-N-(2-methylpropyl)-2-[4-(phenylmethyl)piperazin-1-yl]quinoline-4-carboxamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-isobutyl-N-methyl-quinoline-4-carboxamide CAS Name: N-methyl-N-(2-methylpropyl)-2-[4-(phenylmethyl)-1-piperazinyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-methyl-N-(2-methylpropyl)quinoline-4-carboxamide Traditional Name: 2-(4-benzylpiperazino)-N-isobutyl-N-methyl-cinchoninamide Formula: C26H32N4O MolecularWeight: 416.55848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O/c1-20(2)18-28(3)26(31)23-17-25(27-24-12-8-7-11-22(23)24)30-15-13-29(14-16-30)19-21-9-5-4-6-10-21/h4-12,17,20H,13-16,18-19H2,1-3H3