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

Systemtic Name: (4-nitrophenyl) 3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]piperidine-1-carboxylate Openeye Name: (4-nitrophenyl) 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 (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 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 (4-nitrophenyl) ester Formula: C25H25N7O4 MolecularWeight: 487.5105

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCN(C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])NC3=NC=CC(=N3)N4C=NC5=CC=CC=C54

Isomeric SMILES

CC(C1CCCN(C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])NC3=NC=CC(=N3)N4C=NC5=CC=CC=C54

InChI

InChI=1S/C25H25N7O4/c1-17(28-24-26-13-12-23(29-24)31-16-27-21-6-2-3-7-22(21)31)18-5-4-14-30(15-18)25(33)36-20-10-8-19(9-11-20)32(34)35/h2-3,6-13,16-18H,4-5,14-15H2,1H3,(H,26,28,29)