tert-butyl 4-[[5-[2-(ethoxycarbonylamino)-7-pyrimidin-2-yl-3H-benzimidazol-5-yl]pyridin-2-yl]methyl]-2-methyl-piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[5-[2-(ethoxycarbonylamino)-7-pyrimidin-2-yl-3H-benzimidazol-5-yl]pyridin-2-yl]methyl]-2-methyl-piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[5-[2-(ethoxycarbonylamino)-7-pyrimidin-2-yl-3H-benzimidazol-5-yl]-2-pyridyl]methyl]-2-methyl-piperazine-1-carboxylate CAS Name: 4-[[5-[2-(ethoxycarbonylamino)-7-(2-pyrimidinyl)-3H-benzimidazol-5-yl]-2-pyridinyl]methyl]-2-methyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[5-[2-(ethoxycarbonylamino)-7-pyrimidin-2-yl-3H-benzimidazol-5-yl]pyridin-2-yl]methyl]-2-methylpiperazine-1-carboxylate Traditional Name: 4-[[5-[2-(carbethoxyamino)-7-(2-pyrimidyl)-3H-benzimidazol-5-yl]-2-pyridyl]methyl]-2-methyl-piperazine-1-carboxylic acid tert-butyl ester Formula: C30H36N8O4 MolecularWeight: 572.65804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=NC2=C(C=C(C=C2N1)C3=CN=C(C=C3)CN4CCN(C(C4)C)C(=O)OC(C)(C)C)C5=NC=CC=N5

Isomeric SMILES

CCOC(=O)NC1=NC2=C(C=C(C=C2N1)C3=CN=C(C=C3)CN4CCN(C(C4)C)C(=O)OC(C)(C)C)C5=NC=CC=N5

InChI

InChI=1S/C30H36N8O4/c1-6-41-28(39)36-27-34-24-15-21(14-23(25(24)35-27)26-31-10-7-11-32-26)20-8-9-22(33-16-20)18-37-12-13-38(19(2)17-37)29(40)42-30(3,4)5/h7-11,14-16,19H,6,12-13,17-18H2,1-5H3,(H2,34,35,36,39)