2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]quinoline-4-carboxamide

Systemtic Name: 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]quinoline-4-carboxamide Openeye Name: 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(o-tolylmethyl)quinoline-4-carboxamide CAS Name: 2-[4-(4-methoxyphenyl)-1-piperazinyl]-N-[(2-methylphenyl)methyl]-4-quinolinecarboxamide IUPAC Name: 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]quinoline-4-carboxamide Traditional Name: 2-[4-(4-methoxyphenyl)piperazino]-N-(2-methylbenzyl)cinchoninamide Formula: C29H30N4O2 MolecularWeight: 466.5741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)C2=CC(=NC3=CC=CC=C32)N4CCN(CC4)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)C2=CC(=NC3=CC=CC=C32)N4CCN(CC4)C5=CC=C(C=C5)OC

InChI

InChI=1S/C29H30N4O2/c1-21-7-3-4-8-22(21)20-30-29(34)26-19-28(31-27-10-6-5-9-25(26)27)33-17-15-32(16-18-33)23-11-13-24(35-2)14-12-23/h3-14,19H,15-18,20H2,1-2H3,(H,30,34)