ethyl 1-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 1-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]triazole-4-carboxylate CAS Name: 1-[1-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-benzimidazolyl]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]triazole-4-carboxylate Traditional Name: 1-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]triazole-4-carboxylic acid ethyl ester Formula: C24H22N8O2 MolecularWeight: 454.48388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(N=N1)C2=CC3=C(C=C2)N(C=N3)C4=NC(=NC=C4)NC(C)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=CN(N=N1)C2=CC3=C(C=C2)N(C=N3)C4=NC(=NC=C4)NC(C)C5=CC=CC=C5

InChI

InChI=1S/C24H22N8O2/c1-3-34-23(33)20-14-32(30-29-20)18-9-10-21-19(13-18)26-15-31(21)22-11-12-25-24(28-22)27-16(2)17-7-5-4-6-8-17/h4-16H,3H2,1-2H3,(H,25,27,28)