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

Systemtic Name: propan-2-yl 3-[2-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C22H28N6O2 MolecularWeight: 408.49672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1CCCC(C1)CCNC2=NC=CC(=N2)N3C=NC4=CC=CC=C43

Isomeric SMILES

CC(C)OC(=O)N1CCCC(C1)CCNC2=NC=CC(=N2)N3C=NC4=CC=CC=C43

InChI

InChI=1S/C22H28N6O2/c1-16(2)30-22(29)27-13-5-6-17(14-27)9-11-23-21-24-12-10-20(26-21)28-15-25-18-7-3-4-8-19(18)28/h3-4,7-8,10,12,15-17H,5-6,9,11,13-14H2,1-2H3,(H,23,24,26)