(phenylmethyl) 3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-methyl-amino]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-methyl-amino]piperidine-1-carboxylate Openeye Name: benzyl 3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-methyl-amino]piperidine-1-carboxylate CAS Name: 3-[[4-(1-benzimidazolyl)-2-pyrimidinyl]-methylamino]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-methylamino]piperidine-1-carboxylate Traditional Name: 3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-methyl-amino]piperidine-1-carboxylic acid benzyl ester Formula: C25H26N6O2 MolecularWeight: 442.51294

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCN(C1)C(=O)OCC2=CC=CC=C2)C3=NC=CC(=N3)N4C=NC5=CC=CC=C54

Isomeric SMILES

CN(C1CCCN(C1)C(=O)OCC2=CC=CC=C2)C3=NC=CC(=N3)N4C=NC5=CC=CC=C54

InChI

InChI=1S/C25H26N6O2/c1-29(20-10-7-15-30(16-20)25(32)33-17-19-8-3-2-4-9-19)24-26-14-13-23(28-24)31-18-27-21-11-5-6-12-22(21)31/h2-6,8-9,11-14,18,20H,7,10,15-17H2,1H3