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

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

CC(C1CCCN(C1)C(=O)OC2=CC=CC=C2)NC3=NC=CC(=N3)N4C=NC5=CC=CC=C54

Isomeric SMILES

CC(C1CCCN(C1)C(=O)OC2=CC=CC=C2)NC3=NC=CC(=N3)N4C=NC5=CC=CC=C54

InChI

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