(phenylmethyl) 2-[[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[oxo-[[1-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-benzimidazolyl]amino]methyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C32H31N7O3 MolecularWeight: 561.63364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)NC(=O)C5CCCN5C(=O)OCC6=CC=CC=C6

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)NC(=O)C5CCCN5C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C32H31N7O3/c1-22(24-11-6-3-7-12-24)35-31-33-17-16-29(37-31)39-21-34-26-19-25(14-15-27(26)39)36-30(40)28-13-8-18-38(28)32(41)42-20-23-9-4-2-5-10-23/h2-7,9-12,14-17,19,21-22,28H,8,13,18,20H2,1H3,(H,36,40)(H,33,35,37)