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

Systemtic Name: N-(1,2-diphenylethyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide Openeye Name: N-(1,2-diphenylethyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide CAS Name: N-(1,2-diphenylethyl)-2-[4-(4-methoxyphenyl)-1-piperazinyl]-4-quinolinecarboxamide IUPAC Name: N-(1,2-diphenylethyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide Traditional Name: N-(1,2-diphenylethyl)-2-[4-(4-methoxyphenyl)piperazino]cinchoninamide Formula: C35H34N4O2 MolecularWeight: 542.67006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=NC4=CC=CC=C4C(=C3)C(=O)NC(CC5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=NC4=CC=CC=C4C(=C3)C(=O)NC(CC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C35H34N4O2/c1-41-29-18-16-28(17-19-29)38-20-22-39(23-21-38)34-25-31(30-14-8-9-15-32(30)36-34)35(40)37-33(27-12-6-3-7-13-27)24-26-10-4-2-5-11-26/h2-19,25,33H,20-24H2,1H3,(H,37,40)