3-methyl-2-phenyl-N-[[1,3,3-trimethyl-5-[(3-methyl-2-phenyl-quinolin-4-yl)carbonylamino]cyclohexyl]methyl]quinoline-4-carboxamide

Systemtic Name: 3-methyl-2-phenyl-N-[[1,3,3-trimethyl-5-[(3-methyl-2-phenyl-quinolin-4-yl)carbonylamino]cyclohexyl]methyl]quinoline-4-carboxamide Openeye Name: 3-methyl-2-phenyl-N-[[1,3,3-trimethyl-5-[(3-methyl-2-phenyl-quinoline-4-carbonyl)amino]cyclohexyl]methyl]quinoline-4-carboxamide CAS Name: 3-methyl-2-phenyl-N-[[1,3,3-trimethyl-5-[[(3-methyl-2-phenyl-4-quinolinyl)-oxomethyl]amino]cyclohexyl]methyl]-4-quinolinecarboxamide IUPAC Name: 3-methyl-2-phenyl-N-[[1,3,3-trimethyl-5-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]cyclohexyl]methyl]quinoline-4-carboxamide Traditional Name: 3-methyl-2-phenyl-N-[[1,3,3-trimethyl-5-[(3-methyl-2-phenyl-quinoline-4-carbonyl)amino]cyclohexyl]methyl]cinchoninamide Formula: C44H44N4O2 MolecularWeight: 660.84576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)NCC4(CC(CC(C4)(C)C)NC(=O)C5=C(C(=NC6=CC=CC=C65)C7=CC=CC=C7)C)C

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)NCC4(CC(CC(C4)(C)C)NC(=O)C5=C(C(=NC6=CC=CC=C65)C7=CC=CC=C7)C)C

InChI

InChI=1S/C44H44N4O2/c1-28-37(33-20-12-14-22-35(33)47-39(28)30-16-8-6-9-17-30)41(49)45-27-44(5)25-32(24-43(3,4)26-44)46-42(50)38-29(2)40(31-18-10-7-11-19-31)48-36-23-15-13-21-34(36)38/h6-23,32H,24-27H2,1-5H3,(H,45,49)(H,46,50)