3-methyl-N-[2-[4-[3-methyl-2-(4-methylphenyl)quinolin-4-yl]carbonylpiperazin-1-yl]ethyl]-2-(4-methylphenyl)quinoline-4-carboxamide

Systemtic Name: 3-methyl-N-[2-[4-[3-methyl-2-(4-methylphenyl)quinolin-4-yl]carbonylpiperazin-1-yl]ethyl]-2-(4-methylphenyl)quinoline-4-carboxamide Openeye Name: 3-methyl-N-[2-[4-[3-methyl-2-(p-tolyl)quinoline-4-carbonyl]piperazin-1-yl]ethyl]-2-(p-tolyl)quinoline-4-carboxamide CAS Name: 3-methyl-N-[2-[4-[[3-methyl-2-(4-methylphenyl)-4-quinolinyl]-oxomethyl]-1-piperazinyl]ethyl]-2-(4-methylphenyl)-4-quinolinecarboxamide IUPAC Name: 3-methyl-N-[2-[4-[3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethyl]-2-(4-methylphenyl)quinoline-4-carboxamide Traditional Name: 3-methyl-N-[2-[4-[3-methyl-2-(p-tolyl)quinoline-4-carbonyl]piperazino]ethyl]-2-(p-tolyl)cinchoninamide Formula: C42H41N5O2 MolecularWeight: 647.80724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)NCCN4CCN(CC4)C(=O)C5=C(C(=NC6=CC=CC=C65)C7=CC=C(C=C7)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)NCCN4CCN(CC4)C(=O)C5=C(C(=NC6=CC=CC=C65)C7=CC=C(C=C7)C)C

InChI

InChI=1S/C42H41N5O2/c1-27-13-17-31(18-14-27)39-29(3)37(33-9-5-7-11-35(33)44-39)41(48)43-21-22-46-23-25-47(26-24-46)42(49)38-30(4)40(32-19-15-28(2)16-20-32)45-36-12-8-6-10-34(36)38/h5-20H,21-26H2,1-4H3,(H,43,48)