tert-butyl 2-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]indole-1-carboxylate

Systemtic Name: tert-butyl 2-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]indole-1-carboxylate Openeye Name: tert-butyl 2-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]indole-1-carboxylate CAS Name: 2-[1-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-benzimidazolyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]indole-1-carboxylate Traditional Name: 2-[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]indole-1-carboxylic acid tert-butyl ester Formula: C32H30N6O2 MolecularWeight: 530.6196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)C5=CC6=CC=CC=C6N5C(=O)OC(C)(C)C

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)C5=CC6=CC=CC=C6N5C(=O)OC(C)(C)C

InChI

InChI=1S/C32H30N6O2/c1-21(22-10-6-5-7-11-22)35-30-33-17-16-29(36-30)37-20-34-25-18-24(14-15-27(25)37)28-19-23-12-8-9-13-26(23)38(28)31(39)40-32(2,3)4/h5-21H,1-4H3,(H,33,35,36)