ethyl 1-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)-5-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 1-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)-5-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)-5-phenyl-triazole-4-carboxylate CAS Name: 1-[4,6-bis(1-pyrrolidinyl)-1,3,5-triazin-2-yl]-5-phenyl-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)-5-phenyltriazole-4-carboxylate Traditional Name: 1-(4,6-dipyrrolidino-s-triazin-2-yl)-5-phenyl-triazole-4-carboxylic acid ethyl ester Formula: C22H26N8O2 MolecularWeight: 434.49424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)C2=NC(=NC(=N2)N3CCCC3)N4CCCC4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)C2=NC(=NC(=N2)N3CCCC3)N4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C22H26N8O2/c1-2-32-19(31)17-18(16-10-4-3-5-11-16)30(27-26-17)22-24-20(28-12-6-7-13-28)23-21(25-22)29-14-8-9-15-29/h3-5,10-11H,2,6-9,12-15H2,1H3