(phenylmethyl) 3-[1-[[4-(5-pyridin-4-ylbenzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 3-[1-[[4-(5-pyridin-4-ylbenzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxylate Openeye Name: benzyl 3-[1-[[4-[5-(4-pyridyl)benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxylate CAS Name: 3-[1-[[4-(5-pyridin-4-yl-1-benzimidazolyl)-2-pyrimidinyl]amino]ethyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[1-[[4-(5-pyridin-4-ylbenzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxylate Traditional Name: 3-[1-[[4-[5-(4-pyridyl)benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxylic acid benzyl ester Formula: C31H31N7O2 MolecularWeight: 533.62354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCN(C1)C(=O)OCC2=CC=CC=C2)NC3=NC=CC(=N3)N4C=NC5=C4C=CC(=C5)C6=CC=NC=C6

Isomeric SMILES

CC(C1CCCN(C1)C(=O)OCC2=CC=CC=C2)NC3=NC=CC(=N3)N4C=NC5=C4C=CC(=C5)C6=CC=NC=C6

InChI

InChI=1S/C31H31N7O2/c1-22(26-8-5-17-37(19-26)31(39)40-20-23-6-3-2-4-7-23)35-30-33-16-13-29(36-30)38-21-34-27-18-25(9-10-28(27)38)24-11-14-32-15-12-24/h2-4,6-7,9-16,18,21-22,26H,5,8,17,19-20H2,1H3,(H,33,35,36)