N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-2-pyridin-4-yl-quinoline-4-carboxamide

Systemtic Name: N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: N-[2-[4-(m-tolyl)piperazin-1-yl]ethyl]-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: N-[2-[4-(3-methylphenyl)-1-piperazinyl]ethyl]-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: N-[2-[4-(m-tolyl)piperazino]ethyl]-2-(4-pyridyl)cinchoninamide Formula: C28H29N5O MolecularWeight: 451.56276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5

InChI

InChI=1S/C28H29N5O/c1-21-5-4-6-23(19-21)33-17-15-32(16-18-33)14-13-30-28(34)25-20-27(22-9-11-29-12-10-22)31-26-8-3-2-7-24(25)26/h2-12,19-20H,13-18H2,1H3,(H,30,34)