tert-butyl 4-[2-oxidanylidene-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzimidazol-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-oxidanylidene-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzimidazol-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylate Openeye Name: tert-butyl 4-[2-oxo-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzimidazol-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylate CAS Name: 4-[2-oxo-3-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1-benzimidazolyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-oxo-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzimidazol-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylate Traditional Name: 4-[2-keto-3-[[4-(2-pyrimidyl)piperazino]methyl]benzimidazol-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester Formula: C26H33N7O3 MolecularWeight: 491.58532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(=CC1)N2C3=CC=CC=C3N(C2=O)CN4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(=CC1)N2C3=CC=CC=C3N(C2=O)CN4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C26H33N7O3/c1-26(2,3)36-25(35)31-13-9-20(10-14-31)33-22-8-5-4-7-21(22)32(24(33)34)19-29-15-17-30(18-16-29)23-27-11-6-12-28-23/h4-9,11-12H,10,13-19H2,1-3H3