tert-butyl 3-[[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]carbamoyl]piperidine-1-carboxylate CAS Name: 3-[oxo-[[1-[2-(1-phenylethylamino)-4-pyrimidinyl]-5-benzimidazolyl]amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]carbamoyl]piperidine-1-carboxylate Traditional Name: 3-[[1-[2-(1-phenylethylamino)pyrimidin-4-yl]benzimidazol-5-yl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C30H35N7O3 MolecularWeight: 541.644

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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)C5CCCN(C5)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)NC(=O)C5CCCN(C5)C(=O)OC(C)(C)C

InChI

InChI=1S/C30H35N7O3/c1-20(21-9-6-5-7-10-21)33-28-31-15-14-26(35-28)37-19-32-24-17-23(12-13-25(24)37)34-27(38)22-11-8-16-36(18-22)29(39)40-30(2,3)4/h5-7,9-10,12-15,17,19-20,22H,8,11,16,18H2,1-4H3,(H,34,38)(H,31,33,35)