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

Systemtic Name: propan-2-yl 3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-ethyl-amino]piperidine-1-carboxylate Openeye Name: isopropyl 3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-ethyl-amino]piperidine-1-carboxylate CAS Name: 3-[[4-(1-benzimidazolyl)-2-pyrimidinyl]-ethylamino]-1-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-ethylamino]piperidine-1-carboxylate Traditional Name: 3-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]-ethyl-amino]piperidine-1-carboxylic acid isopropyl ester Formula: C22H28N6O2 MolecularWeight: 408.49672

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCN(C1)C(=O)OC(C)C)C2=NC=CC(=N2)N3C=NC4=CC=CC=C43

Isomeric SMILES

CCN(C1CCCN(C1)C(=O)OC(C)C)C2=NC=CC(=N2)N3C=NC4=CC=CC=C43

InChI

InChI=1S/C22H28N6O2/c1-4-27(17-8-7-13-26(14-17)22(29)30-16(2)3)21-23-12-11-20(25-21)28-15-24-18-9-5-6-10-19(18)28/h5-6,9-12,15-17H,4,7-8,13-14H2,1-3H3