phenyl 3-[2-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)OC2=CC=CC=C2)CCNC3=NC=CC(=N3)N4C=NC5=CC=CC=C54

Isomeric SMILES

C1CC(CN(C1)C(=O)OC2=CC=CC=C2)CCNC3=NC=CC(=N3)N4C=NC5=CC=CC=C54

InChI

InChI=1S/C25H26N6O2/c32-25(33-20-8-2-1-3-9-20)30-16-6-7-19(17-30)12-14-26-24-27-15-13-23(29-24)31-18-28-21-10-4-5-11-22(21)31/h1-5,8-11,13,15,18-19H,6-7,12,14,16-17H2,(H,26,27,29)