ditert-butyl 2-[[4-ethoxy-3-[7-(2-ethylheptyl)-5-methyl-4-oxidanylidene-1H-imidazo[5,1-f][1,2,4]triazin-2-yl]phenyl]carbamoyl]piperazine-1,4-dicarboxylate

Systemtic Name: ditert-butyl 2-[[4-ethoxy-3-[7-(2-ethylheptyl)-5-methyl-4-oxidanylidene-1H-imidazo[5,1-f][1,2,4]triazin-2-yl]phenyl]carbamoyl]piperazine-1,4-dicarboxylate Openeye Name: ditert-butyl 2-[[4-ethoxy-3-[7-(2-ethylheptyl)-5-methyl-4-oxo-1H-imidazo[5,1-f][1,2,4]triazin-2-yl]phenyl]carbamoyl]piperazine-1,4-dicarboxylate CAS Name: 2-[[4-ethoxy-3-[7-(2-ethylheptyl)-5-methyl-4-oxo-1H-imidazo[5,1-f][1,2,4]triazin-2-yl]anilino]-oxomethyl]piperazine-1,4-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[[4-ethoxy-3-[7-(2-ethylheptyl)-5-methyl-4-oxo-1H-imidazo[5,1-f][1,2,4]triazin-2-yl]phenyl]carbamoyl]piperazine-1,4-dicarboxylate Traditional Name: 2-[[4-ethoxy-3-[7-(2-ethylheptyl)-4-keto-5-methyl-1H-imidazo[5,1-f][1,2,4]triazin-2-yl]phenyl]carbamoyl]piperazine-1,4-dicarboxylic acid ditert-butyl ester Formula: C38H57N7O7 MolecularWeight: 723.90188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)CC1=NC(=C2N1NC(=NC2=O)C3=C(C=CC(=C3)NC(=O)C4CN(CCN4C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)OCC)C

Isomeric SMILES

CCCCCC(CC)CC1=NC(=C2N1NC(=NC2=O)C3=C(C=CC(=C3)NC(=O)C4CN(CCN4C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)OCC)C

InChI

InChI=1S/C38H57N7O7/c1-11-14-15-16-25(12-2)21-30-39-24(4)31-34(47)41-32(42-45(30)31)27-22-26(17-18-29(27)50-13-3)40-33(46)28-23-43(35(48)51-37(5,6)7)19-20-44(28)36(49)52-38(8,9)10/h17-18,22,25,28H,11-16,19-21,23H2,1-10H3,(H,40,46)(H,41,42,47)