N-(2,2-dimethylpropyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide

Systemtic Name: N-(2,2-dimethylpropyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide Openeye Name: N-(2,2-dimethylpropyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide CAS Name: N-(2,2-dimethylpropyl)-2-[4-(4-methoxyphenyl)-1-piperazinyl]-4-quinolinecarboxamide IUPAC Name: N-(2,2-dimethylpropyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide Traditional Name: 2-[4-(4-methoxyphenyl)piperazino]-N-neopentyl-cinchoninamide Formula: C26H32N4O2 MolecularWeight: 432.55788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O2/c1-26(2,3)18-27-25(31)22-17-24(28-23-8-6-5-7-21(22)23)30-15-13-29(14-16-30)19-9-11-20(32-4)12-10-19/h5-12,17H,13-16,18H2,1-4H3,(H,27,31)