tert-butyl 4-phenyl-4-[[[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]amino]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-phenyl-4-[[[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]amino]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-phenyl-4-[[[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]amino]methyl]piperidine-1-carboxylate CAS Name: 4-phenyl-4-[[[1-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-benzimidazolyl]amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-phenyl-4-[[[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]amino]methyl]piperidine-1-carboxylate Traditional Name: 4-phenyl-4-[[[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]amino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C36H41N7O2 MolecularWeight: 603.75644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)NCC5(CCN(CC5)C(=O)OC(C)(C)C)C6=CC=CC=C6

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)NCC5(CCN(CC5)C(=O)OC(C)(C)C)C6=CC=CC=C6

InChI

InChI=1S/C36H41N7O2/c1-26(27-11-7-5-8-12-27)40-33-37-20-17-32(41-33)43-25-39-30-23-29(15-16-31(30)43)38-24-36(28-13-9-6-10-14-28)18-21-42(22-19-36)34(44)45-35(2,3)4/h5-17,20,23,25-26,38H,18-19,21-22,24H2,1-4H3,(H,37,40,41)