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

Systemtic Name: N-(3-methylbutan-2-yl)-2-[4-(phenylmethyl)piperazin-1-yl]quinoline-4-carboxamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-(1,2-dimethylpropyl)quinoline-4-carboxamide CAS Name: N-(3-methylbutan-2-yl)-2-[4-(phenylmethyl)-1-piperazinyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide Traditional Name: 2-(4-benzylpiperazino)-N-(1,2-dimethylpropyl)cinchoninamide Formula: C26H32N4O MolecularWeight: 416.55848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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