ethyl 2-[4-[3-ethoxycarbonyl-4-(4-methylphenyl)-6-phenyl-pyridin-2-yl]piperazin-1-yl]-4-(4-methylphenyl)-6-phenyl-pyridine-3-carboxylate

Systemtic Name: ethyl 2-[4-[3-ethoxycarbonyl-4-(4-methylphenyl)-6-phenyl-pyridin-2-yl]piperazin-1-yl]-4-(4-methylphenyl)-6-phenyl-pyridine-3-carboxylate Openeye Name: ethyl 2-[4-[3-ethoxycarbonyl-6-phenyl-4-(p-tolyl)-2-pyridyl]piperazin-1-yl]-6-phenyl-4-(p-tolyl)pyridine-3-carboxylate CAS Name: 2-[4-[3-ethoxycarbonyl-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]-1-piperazinyl]-4-(4-methylphenyl)-6-phenyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-[3-ethoxycarbonyl-4-(4-methylphenyl)-6-phenylpyridin-2-yl]piperazin-1-yl]-4-(4-methylphenyl)-6-phenylpyridine-3-carboxylate Traditional Name: 2-[4-[3-carbethoxy-6-phenyl-4-(p-tolyl)-2-pyridyl]piperazino]-6-phenyl-4-(p-tolyl)nicotinic acid ethyl ester Formula: C46H44N4O4 MolecularWeight: 716.86596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C=C1C2=CC=C(C=C2)C)C3=CC=CC=C3)N4CCN(CC4)C5=C(C(=CC(=N5)C6=CC=CC=C6)C7=CC=C(C=C7)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(N=C(C=C1C2=CC=C(C=C2)C)C3=CC=CC=C3)N4CCN(CC4)C5=C(C(=CC(=N5)C6=CC=CC=C6)C7=CC=C(C=C7)C)C(=O)OCC

InChI

InChI=1S/C46H44N4O4/c1-5-53-45(51)41-37(33-21-17-31(3)18-22-33)29-39(35-13-9-7-10-14-35)47-43(41)49-25-27-50(28-26-49)44-42(46(52)54-6-2)38(34-23-19-32(4)20-24-34)30-40(48-44)36-15-11-8-12-16-36/h7-24,29-30H,5-6,25-28H2,1-4H3