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

Systemtic Name: 2-(4-ethylphenyl)-N-[[5-[[2-(4-ethylphenyl)quinolin-4-yl]carbonylamino]-1,3,3-trimethyl-cyclohexyl]methyl]quinoline-4-carboxamide Openeye Name: 2-(4-ethylphenyl)-N-[[5-[[2-(4-ethylphenyl)quinoline-4-carbonyl]amino]-1,3,3-trimethyl-cyclohexyl]methyl]quinoline-4-carboxamide CAS Name: 2-(4-ethylphenyl)-N-[[5-[[[2-(4-ethylphenyl)-4-quinolinyl]-oxomethyl]amino]-1,3,3-trimethylcyclohexyl]methyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-ethylphenyl)-N-[[5-[[2-(4-ethylphenyl)quinoline-4-carbonyl]amino]-1,3,3-trimethylcyclohexyl]methyl]quinoline-4-carboxamide Traditional Name: 2-(4-ethylphenyl)-N-[[5-[[2-(4-ethylphenyl)quinoline-4-carbonyl]amino]-1,3,3-trimethyl-cyclohexyl]methyl]cinchoninamide Formula: C46H48N4O2 MolecularWeight: 688.89892

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4(CC(CC(C4)(C)C)NC(=O)C5=CC(=NC6=CC=CC=C65)C7=CC=C(C=C7)CC)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4(CC(CC(C4)(C)C)NC(=O)C5=CC(=NC6=CC=CC=C65)C7=CC=C(C=C7)CC)C

InChI

InChI=1S/C46H48N4O2/c1-6-30-16-20-32(21-17-30)41-24-37(35-12-8-10-14-39(35)49-41)43(51)47-29-46(5)27-34(26-45(3,4)28-46)48-44(52)38-25-42(33-22-18-31(7-2)19-23-33)50-40-15-11-9-13-36(38)40/h8-25,34H,6-7,26-29H2,1-5H3,(H,47,51)(H,48,52)