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

Systemtic Name: N-(2-methylprop-2-enyl)-2-[4-(phenylmethyl)piperazin-1-yl]quinoline-4-carboxamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-(2-methylallyl)quinoline-4-carboxamide CAS Name: N-(2-methylprop-2-enyl)-2-[4-(phenylmethyl)-1-piperazinyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-(2-methylprop-2-enyl)quinoline-4-carboxamide Traditional Name: 2-(4-benzylpiperazino)-N-(2-methylallyl)cinchoninamide Formula: C25H28N4O MolecularWeight: 400.51602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O/c1-19(2)17-26-25(30)22-16-24(27-23-11-7-6-10-21(22)23)29-14-12-28(13-15-29)18-20-8-4-3-5-9-20/h3-11,16H,1,12-15,17-18H2,2H3,(H,26,30)